ChemSpider 2D Image | N-[(1s)-1-(1h-Benzimidazol-2-Yl)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}ethyl]-4-Methyl-3,4-Dihydro-2h-1,4-Benzoxazine-7-Sulfonamide | C27H27N5O6S2

N-[(1s)-1-(1h-Benzimidazol-2-Yl)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}ethyl]-4-Methyl-3,4-Dihydro-2h-1,4-Benzoxazine-7-Sulfonamide

  • Molecular FormulaC27H27N5O6S2
  • Average mass581.663 Da
  • Monoisotopic mass581.140259 Da
  • ChemSpider ID7828123

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1,4-Benzoxazine-7-sulfonamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-[(5S)-1,1-dioxido-3-oxo-5-isothiazolidinyl]phenyl]ethyl]-3,4-dihydro-4-methyl- [ACD/Index Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-sulfonamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide [ACD/IUPAC Name]
N-[(1s)-1-(1h-Benzimidazol-2-Yl)-2-{4-[(5s)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}ethyl]-4-Methyl-3,4-Dihydro-2h-1,4-Benzoxazine-7-Sulfonamide
N-[(1S)-1-(1H-Benzimidazol-2-yl)-2-{4-[(5S)-3-oxo-1,1-dioxydo-1,2-thiazolidin-5-yl]phényl}éthyl]-4-méthyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide [French] [ACD/IUPAC Name]
IZB

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: 1.677
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.79
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 167 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 395.8±3.0 cm3

Click to predict properties on the Chemicalize site


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