Found 164 results

Search term: MF = 'C_{30}H_{33}N_{5}O_{5}S'
ChemSpider 2D Image | Ethyl 4-{4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}-1-piperazinecarboxylate | C30H33N5O5S

Ethyl 4-{4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}-1-piperazinecarboxylate

  • Molecular FormulaC30H33N5O5S
  • Average mass575.679 Da
  • Monoisotopic mass575.220215 Da
  • ChemSpider ID5048774

More details:

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

1-Piperazinecarboxylic acid, 4-[4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(2-thienylcarbonyl)amino]benzoyl]-, ethyl ester [ACD/Index Name]
4-{4-(6-Oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-3-[(2-thiénylcarbonyl)amino]benzoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[(2-thienylcarbonyl)amino]benzoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

CDS1_002288 [DBID]
ChemDiv1_015024 [DBID]
DivK1c_003328 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.00
ACD/KOC (pH 5.5): 180.18
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.13
ACD/KOC (pH 7.4): 182.58
Polar Surface Area: 131 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 402.8±5.0 cm3

Click to predict properties on the Chemicalize site


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