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Search term: ACWOMSOYIIVIRV-QHCPKHFHSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 11-sec-Butyl-2-[(2-methoxy-4-{[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl}phenyl)amino]-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | C34H44N8O3

11-sec-Butyl-2-[(2-methoxy-4-{[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl}phenyl)amino]-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

  • Molecular FormulaC34H44N8O3
  • Average mass612.765 Da
  • Monoisotopic mass612.353638 Da
  • ChemSpider ID84421853

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11-sec-Butyl-2-[(2-methoxy-4-{[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl}phenyl)amino]-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-on [German] [ACD/IUPAC Name]
11-sec-Butyl-2-[(2-methoxy-4-{[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl}phenyl)amino]-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one [ACD/IUPAC Name]
11-sec-Butyl-2-[(2-méthoxy-4-{[4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]carbonyl}phényl)amino]-5-méthyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazépin-6-one [French] [ACD/IUPAC Name]
2-(butan-2-yl)-5-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-9-methyl-2,4,6,9-tetraazatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
2250323-50-1 [RN]
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5-methyl-11-(1-methylpropyl)- [ACD/Index Name]
11-(sec-butyl)-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5-methyl-5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one
11-butan-2-yl-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one
5,11-Dihydro-2-[[2-methoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5-methyl-11-(1-methylpropyl)-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
JWG-071
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 801.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.7±37.1 °C
Index of Refraction: 1.625
Molar Refractivity: 174.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 10.59
ACD/KOC (pH 7.4): 92.98
Polar Surface Area: 97 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 494.9±3.0 cm3

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