ChemSpider 2D Image | 2-{[4-(1-Azepanylsulfonyl)phenyl]amino}-N-methyl-2-oxo-N-[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]ethanaminium | C24H30N5O4S

2-{[4-(1-Azepanylsulfonyl)phenyl]amino}-N-methyl-2-oxo-N-[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]ethanaminium

  • Molecular FormulaC24H30N5O4S
  • Average mass484.591 Da
  • Monoisotopic mass484.201294 Da
  • ChemSpider ID24811719

  • Charge - Charge

More details:

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

2-{[4-(1-Azepanylsulfonyl)phenyl]amino}-N-methyl-2-oxo-N-[(4-oxo-1,4-dihydro-2-chinazolinyl)methyl]ethanaminium [German] [ACD/IUPAC Name]
2-{[4-(1-Azepanylsulfonyl)phenyl]amino}-N-methyl-2-oxo-N-[(4-oxo-1,4-dihydro-2-quinazolinyl)methyl]ethanaminium [ACD/IUPAC Name]
2-{[4-(1-Azépanylsulfonyl)phényl]amino}-N-méthyl-2-oxo-N-[(4-oxo-1,4-dihydro-2-quinazolinyl)méthyl]éthanaminium [French] [ACD/IUPAC Name]
Acetamide, 2-[[(3,4-dihydro-4-oxo-2-quinazolinyl)methyl]methylamino]-N-[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]-, conjugate monoacid [ACD/Index Name]
ZINC13120769

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 19.59
ACD/KOC (pH 5.5): 284.61
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.59
ACD/KOC (pH 7.4): 313.66
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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