ChemSpider 2D Image | 2-[(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide | C20H18ClN3O2S

2-[(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide

  • Molecular FormulaC20H18ClN3O2S
  • Average mass399.894 Da
  • Monoisotopic mass399.080811 Da
  • ChemSpider ID30834932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide [ACD/IUPAC Name]
2-[(6S)-4-(4-Chlorophényl)-2,3,9-triméthyl-6H-[1,2]oxazolo[5,4-c]thiéno[2,3-e]azépin-6-yl]acétamide [French] [ACD/IUPAC Name]
2-[(6S)-4-(4-Chlorphenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamid [German] [ACD/IUPAC Name]
6H-Isoxazolo[5,4-c]thieno[2,3-e]azepine-6-acetamide, 4-(4-chlorophenyl)-2,3,9-trimethyl-, (6S)- [ACD/Index Name]
1XB
isoxazole azepine compound 3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.84
ACD/KOC (pH 5.5): 1774.20
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.88
ACD/KOC (pH 7.4): 1774.50
Polar Surface Area: 110 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

Click to predict properties on the Chemicalize site


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