ChemSpider 2D Image | 1-[(3R)-1-(Adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea | C33H34N4O3

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

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID4470671

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

1-[(3R)-1-(Adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[(3R)-1-(Adamantan-1-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea [ACD/IUPAC Name]
1-[(3R)-1-(Adamantan-1-ylméthyl)-2,4-dioxo-5-phényl-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-3-yl]-3-phénylurée [French] [ACD/IUPAC Name]
1-[(3R)-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3-phenylurea
Urea, N-phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]- [ACD/Index Name]
1-((R)-1-Adamantan-1-ylmethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-3-phenyl-urea
1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea
167355-22-8 [RN]
GV 150013X
GV150013
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C15096 [DBID]
gv 150013 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.9±32.9 °C
Index of Refraction: 1.694
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2784.08
ACD/KOC (pH 5.5): 10168.22
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2693.44
ACD/KOC (pH 7.4): 9837.17
Polar Surface Area: 82 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

Click to predict properties on the Chemicalize site


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