ChemSpider 2D Image | 2-Amino-1-{4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl}-3-methyl-1-pentanone | C15H24ClN3O3S2

2-Amino-1-{4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl}-3-methyl-1-pentanone

  • Molecular FormulaC15H24ClN3O3S2
  • Average mass393.952 Da
  • Monoisotopic mass393.094757 Da
  • ChemSpider ID63816766

More details:

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

1-Pentanone, 2-amino-1-[4-[(5-chloro-2-thienyl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]-3-methyl- [ACD/Index Name]
2-Amino-1-{4-[(5-chlor-2-thienyl)sulfonyl]-1,4-diazepan-1-yl}-3-methyl-1-pentanon [German] [ACD/IUPAC Name]
2-Amino-1-{4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl}-3-methyl-1-pentanone [ACD/IUPAC Name]
2-Amino-1-{4-[(5-chloro-2-thiényl)sulfonyl]-1,4-diazépan-1-yl}-3-méthyl-1-pentanone [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: 559.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.4±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 21.01
Polar Surface Area: 120 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

Click to predict properties on the Chemicalize site


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