Found 21 results

Search term: MF = 'C_{33}H_{39}N_{3}O_{8}S'
ChemSpider 2D Image | 4-(2-{[(2-Cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propyl]amino}-3-oxopropyl)phenyl acetate | C33H39N3O8S

4-(2-{[(2-Cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC33H39N3O8S
  • Average mass637.743 Da
  • Monoisotopic mass637.245789 Da
  • ChemSpider ID121045284

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-oxo-2-[[3-(tetrahydro-1,1-dioxido-3-thienyl)propyl]amino]ethyl]-2-cyclohexyl-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-(2-{[(2-Cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(2-{[(2-Cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(2-{[(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-{[3-(1,1-dioxydotétrahydro-3-thiophényl)propyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC 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: 905.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 501.1±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.60
ACD/KOC (pH 5.5): 649.10
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.60
ACD/KOC (pH 7.4): 649.10
Polar Surface Area: 164 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 481.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement