ChemSpider 2D Image | 1-[7-Chloro-1-methyl-2-oxo-5-(3-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methylphenyl]thiourea | C27H29ClN6OS

1-[7-Chloro-1-methyl-2-oxo-5-(3-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methylphenyl]thiourea

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID8350194

More details:






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

1-[7-Chlor-1-methyl-2-oxo-5-(3-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methylphenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-[7-Chloro-1-methyl-2-oxo-5-(3-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methylphenyl]thiourea [ACD/IUPAC Name]
1-[7-Chloro-1-méthyl-2-oxo-5-(3-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]-3-[4-(diéthylamino)-2-méthylphényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[7-chloro-2,3-dihydro-1-methyl-2-oxo-5-(3-pyridinyl)-1H-1,4-benzodiazepin-3-yl]-N'-[4-(diethylamino)-2-methylphenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 36.58
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 230.48
ACD/KOC (pH 7.4): 1298.85
Polar Surface Area: 105 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 404.9±7.0 cm3

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