ChemSpider 2D Image | N-(1-{7-[4-(Benzyloxy)-3-methoxybenzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-3-methylbutyl)acetamide | C28H37N5O3

N-(1-{7-[4-(Benzyloxy)-3-methoxybenzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-3-methylbutyl)acetamide

  • Molecular FormulaC28H37N5O3
  • Average mass491.625 Da
  • Monoisotopic mass491.289642 Da
  • ChemSpider ID22168781

More details:

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

Acetamide, N-[3-methyl-1-[6,7,8,9-tetrahydro-7-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]butyl]- [ACD/Index Name]
N-(1-{7-[4-(Benzyloxy)-3-methoxybenzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-3-methylbutyl)acetamid [German] [ACD/IUPAC Name]
N-(1-{7-[4-(Benzyloxy)-3-methoxybenzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-3-methylbutyl)acetamide [ACD/IUPAC Name]
N-(1-{7-[4-(Benzyloxy)-3-méthoxybenzyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}-3-méthylbutyl)acétamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 10.19
ACD/KOC (pH 5.5): 93.01
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 98.51
ACD/KOC (pH 7.4): 899.44
Polar Surface Area: 82 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 411.2±7.0 cm3

Click to predict properties on the Chemicalize site


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