Found 67 results

Search term: MF = 'C_{28}H_{28}ClN_{3}OS'
ChemSpider 2D Image | 2-{[4-(4-Chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide | C28H28ClN3OS

2-{[4-(4-Chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide

  • Molecular FormulaC28H28ClN3OS
  • Average mass490.059 Da
  • Monoisotopic mass489.164154 Da
  • ChemSpider ID28948842

More details:

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

2-{[4-(4-Chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide [ACD/IUPAC Name]
2-{[4-(4-Chlorophényl)-7,8-diméthyl-3H-1,5-benzodiazépin-2-yl]sulfanyl}-N-(4-isopropylphényl)acétamide [French] [ACD/IUPAC Name]
2-{[4-(4-Chlorphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-isopropylphenyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]thio]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31218.70
ACD/KOC (pH 5.5): 57195.94
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31550.26
ACD/KOC (pH 7.4): 57803.39
Polar Surface Area: 79 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 400.6±7.0 cm3

Click to predict properties on the Chemicalize site


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