ChemSpider 2D Image | 1-[4-({2-[3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethyl}carbamoyl)phenyl]-1,2-triazadien-2-ium | C25H24N5O4S

1-[4-({2-[3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethyl}carbamoyl)phenyl]-1,2-triazadien-2-ium

  • Molecular FormulaC25H24N5O4S
  • Average mass490.554 Da
  • Monoisotopic mass490.154358 Da
  • ChemSpider ID95587979

  • Charge - Charge

More details:

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

1,2-Triazadien-2-ium, 1-[4-[[[2-[3,4-dihydro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]amino]carbonyl]phenyl]- [ACD/Index Name]
1-[4-({2-[3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethyl}carbamoyl)phenyl]-1,2-triazadien-2-ium [German] [ACD/IUPAC Name]
1-[4-({2-[3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethyl}carbamoyl)phenyl]-1,2-triazadien-2-ium [ACD/IUPAC Name]
1-[4-({2-[3-Hydroxy-2-(4-méthoxyphényl)-4-oxo-3,4-dihydro-1,5-benzothiazépin-5(2H)-yl]éthyl}carbamoyl)phényl]-1,2-triazadién-2-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 140 Å2
Polarizability:
Surface Tension:
Molar Volume:

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