Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | (14E,16S,17S)-17-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.0~6,11~]icosa-6,8,10,14-tetraen-2-one | C33H44N6O4

(14E,16S,17S)-17-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-2-one

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID65321127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(14E,16S,17S)-17-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-2-on [German] [ACD/IUPAC Name]
(14E,16S,17S)-17-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-{methyl[2-(2-pyridinyl)ethyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-2-one [ACD/IUPAC Name]
(14E,16S,17S)-17-[2-(4-Acétyl-1-pipérazinyl)-2-oxoéthyl]-8-{méthyl[2-(2-pyridinyl)éthyl]amino}-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tétraén-2-one [French] [ACD/IUPAC Name]
2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecin-10(11H)-one, 6-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-5,6,7,8,12,13-hexahydro-15-[methyl[2-(2-pyridinyl)ethyl]amino]-, (3E,5S,6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 847.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 466.0±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 4.93
ACD/KOC (pH 7.4): 90.68
Polar Surface Area: 98 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement