ChemSpider 2D Image | N-[(4-Aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide | C22H29N5O5S

N-[(4-Aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide

  • Molecular FormulaC22H29N5O5S
  • Average mass475.561 Da
  • Monoisotopic mass475.188934 Da
  • ChemSpider ID21395648

More details:






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

1H-[1,2,4]Triazolo[1,2-a]pyridazine-5-carboxamide, N-[(4-aminocyclohexyl)methyl]-2,3,5,8-tetrahydro-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]
N-[(4-Aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-carboxamid [German] [ACD/IUPAC Name]
N-[(4-Aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide [ACD/IUPAC Name]
N-[(4-Aminocyclohexyl)méthyl]-1,3-dioxo-2-[2-(phénylsulfonyl)éthyl]-2,3,5,8-tétrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide [French] [ACD/IUPAC Name]
(5s)-N-[(Trans-4-Aminocyclohexyl)methyl]-1,3-Dioxo-2-[2-(Phenylsulfonyl)ethyl]-2,3,5,8-Tetrahydro-1h-[1,2,4]triazolo[1,2-A]pyridazine-5-Carboxamide
00P

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

Click to predict properties on the Chemicalize site






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