ChemSpider 2D Image | N-(6-{3-[(2-Hydroxyphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-[(methylsulfonyl)amino]butanamide | C17H22N6O6S

N-(6-{3-[(2-Hydroxyphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-[(methylsulfonyl)amino]butanamide

  • Molecular FormulaC17H22N6O6S
  • Average mass438.458 Da
  • Monoisotopic mass438.132141 Da
  • ChemSpider ID66825551

More details:

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

1,2,4-Triazine-6-propanamide, 4,5-dihydro-N-(2-hydroxyphenyl)-3-[[4-[(methylsulfonyl)amino]-1-oxobutyl]amino]-5-oxo- [ACD/Index Name]
N-(6-{3-[(2-Hydroxyphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-[(methylsulfonyl)amino]butanamid [German] [ACD/IUPAC Name]
N-(6-{3-[(2-Hydroxyphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-[(methylsulfonyl)amino]butanamide [ACD/IUPAC Name]
N-(6-{3-[(2-Hydroxyphényl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-[(méthylsulfonyl)amino]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.35
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.87
Polar Surface Area: 187 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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