ChemSpider 2D Image | N~2~-{2-Chloro-4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide | C28H29ClN4O4S

N2-{2-Chloro-4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-N2,N8-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide

  • Molecular FormulaC28H29ClN4O4S
  • Average mass553.072 Da
  • Monoisotopic mass552.159790 Da
  • ChemSpider ID26325556

More details:






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

N2-{2-Chlor-4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-N2,N8-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepin-2,8-dicarboxamid [German] [ACD/IUPAC Name]
N2-{2-Chloro-4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-N2,N8-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide [ACD/IUPAC Name]
N2-{2-Chloro-4-[(4-méthyl-1-pipérazinyl)carbonyl]phényl}-N2,N8-diméthyl-4,5-dihydrothiéno[3,2-d][1]benzoxépine-2,8-dicarboxamide [French] [ACD/IUPAC Name]
N2-{2-Chloro-4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-N2,N8-Dimethyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2,8-Dicarboxamide
Thieno[3,2-d][1]benzoxepin-2,8-dicarboxamide, N2-[2-chloro-4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-4,5-dihydro-N2,N8-dimethyl- [ACD/Index Name]
10.1021/jm2007084
3T8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 808.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 19.48
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.17
ACD/KOC (pH 7.4): 233.37
Polar Surface Area: 110 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement