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Search term: SBUBNZVVEQCRHW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-{[7-(4-Methoxy-2,5-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamide | C22H33N5O2

N-{[7-(4-Methoxy-2,5-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamide

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID22137299

More details:






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

Butanamide, 2-methyl-N-[[6,7,8,9-tetrahydro-7-[(4-methoxy-2,5-dimethylphenyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]- [ACD/Index Name]
N-{[7-(4-Methoxy-2,5-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamid [German] [ACD/IUPAC Name]
N-{[7-(4-Methoxy-2,5-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamide [ACD/IUPAC Name]
N-{[7-(4-Méthoxy-2,5-diméthylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-2-méthylbutanamide [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: 1.598
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 17.26
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 21.98
ACD/KOC (pH 7.4): 297.23
Polar Surface Area: 72 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 336.2±7.0 cm3

Click to predict properties on the Chemicalize site






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