ChemSpider 2D Image | 6-[({trans-4-[(4-Oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexyl}carbonyl)amino]hexanoic acid | C21H30N4O4

6-[({trans-4-[(4-Oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexyl}carbonyl)amino]hexanoic acid

  • Molecular FormulaC21H30N4O4
  • Average mass402.487 Da
  • Monoisotopic mass402.226715 Da
  • ChemSpider ID21750080

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-[({trans-4-[(4-Oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexyl}carbonyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({trans-4-[(4-Oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexyl}carbonyl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[({trans-4-[(4-oxo-1,4-dihydro-1,2,3-benzotriazin-3(2H)-yl)méthyl]cyclohexyl}carbonyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[trans-4-[(1,4-dihydro-4-oxo-1,2,3-benzotriazin-3(2H)-yl)methyl]cyclohexyl]carbonyl]amino]- [ACD/Index Name]
1217676-49-7 [RN]
6-({4-[(4-oxo-1H,2H-benzo[e]1,2,3-triazaperhydroin-3-yl)methyl]cyclohexyl}carbonylamino)hexanoic acid
6-{[4-(4-Oxo-1,4-dihydro-2H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarbonyl]-amino}-hexanoic acid

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: 1.558
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 35.66
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 333.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement