ChemSpider 2D Image | N-{1-[7-(3-Chlorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamide | C25H32ClN5O3

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

  • Molecular FormulaC25H32ClN5O3
  • Average mass486.006 Da
  • Monoisotopic mass485.219360 Da
  • ChemSpider ID22180987

More details:

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

2-Furancarboxamide, N-[1-[7-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl]-5-(methoxymethyl)- [ACD/Index Name]
N-{1-[7-(3-Chlorbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamid [German] [ACD/IUPAC Name]
N-{1-[7-(3-Chlorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamide [ACD/IUPAC Name]
N-{1-[7-(3-Chlorobenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]-3-méthylbutyl}-5-(méthoxyméthyl)-2-furamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 12.96
ACD/KOC (pH 5.5): 113.91
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 114.02
ACD/KOC (pH 7.4): 1002.26
Polar Surface Area: 85 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 373.2±7.0 cm3

Click to predict properties on the Chemicalize site


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