ChemSpider 2D Image | 2-[(1H-Benzotriazol-1-ylacetyl)(4-chlorobenzyl)amino]-N-[4-(4-morpholinyl)phenyl]butanamide | C29H31ClN6O3

2-[(1H-Benzotriazol-1-ylacetyl)(4-chlorobenzyl)amino]-N-[4-(4-morpholinyl)phenyl]butanamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID2678033

More details:

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

1H-1,2,3-Benzotriazole-1-acetamide, N-[(4-chlorophenyl)methyl]-N-[1-[[[4-(4-morpholinyl)phenyl]amino]carbonyl]propyl]- [ACD/Index Name]
2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-chlorobenzyl)acetamido)-N-(4-morpholinophenyl)butanamide
2-[(1H-Benzotriazol-1-ylacetyl)(4-chlorbenzyl)amino]-N-[4-(4-morpholinyl)phenyl]butanamid [German] [ACD/IUPAC Name]
2-[(1H-Benzotriazol-1-ylacetyl)(4-chlorobenzyl)amino]-N-[4-(4-morpholinyl)phenyl]butanamide [ACD/IUPAC Name]
2-{[2-(1H-Benzotriazol-1-yl)acétyl](4-chlorobenzyl)amino}-N-[4-(4-morpholinyl)phényl]butanamide [French] [ACD/IUPAC Name]
2-[(1H-benzotriazol-1-ylacetyl)(4-chlorobenzyl)amino]-N-[4-(morpholin-4-yl)phenyl]butanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 413.40
ACD/KOC (pH 5.5): 1916.55
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1174.99
ACD/KOC (pH 7.4): 5447.24
Polar Surface Area: 93 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 412.1±7.0 cm3

Click to predict properties on the Chemicalize site


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