ChemSpider 2D Image | 1-[1-(Adamantan-1-ylmethyl)-5-(3-methylbutyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea | C32H40N4O3

1-[1-(Adamantan-1-ylmethyl)-5-(3-methylbutyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID8273993

More details:

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

1-[1-(3-methylbutyl)-2,4-dioxo-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea
1-[1-(Adamantan-1-ylmethyl)-5-(3-methylbutyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[1-(Adamantan-1-ylmethyl)-5-(3-methylbutyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea [ACD/IUPAC Name]
1-[1-(Adamantan-1-ylméthyl)-5-(3-méthylbutyl)-2,4-dioxo-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-3-yl]-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-phenyl-N'-[2,3,4,5-tetrahydro-1-(3-methylbutyl)-2,4-dioxo-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]- [ACD/Index Name]
1-[1-Adamantan-1-ylmethyl-5-(3-methyl-butyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-3-phenyl-urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6619.87
ACD/KOC (pH 5.5): 18902.79
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6502.29
ACD/KOC (pH 7.4): 18567.02
Polar Surface Area: 82 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

Click to predict properties on the Chemicalize site


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