ChemSpider 2D Image | 3-(2-Amino-1,3-benzothiazol-4-yl)-6-{[(3S)-3-amino-1-pyrrolidinyl]sulfonyl}-2-(5-tetrazolidinyl)benzenesulfonamide | C18H23N9O4S3

3-(2-Amino-1,3-benzothiazol-4-yl)-6-{[(3S)-3-amino-1-pyrrolidinyl]sulfonyl}-2-(5-tetrazolidinyl)benzenesulfonamide

  • Molecular FormulaC18H23N9O4S3
  • Average mass525.628 Da
  • Monoisotopic mass525.103516 Da
  • ChemSpider ID129031857

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(2-Amino-1,3-benzothiazol-4-yl)-6-{[(3S)-3-amino-1-pyrrolidinyl]sulfonyl}-2-(5-tetrazolidinyl)benzenesulfonamide [ACD/IUPAC Name]
3-(2-Amino-1,3-benzothiazol-4-yl)-6-{[(3S)-3-amino-1-pyrrolidinyl]sulfonyl}-2-(5-tétrazolidinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
3-(2-Amino-1,3-benzothiazol-4-yl)-6-{[(3S)-3-amino-1-pyrrolidinyl]sulfonyl}-2-(5-tetrazolidinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-(2-amino-4-benzothiazolyl)-6-[[(3S)-3-amino-1-pyrrolidinyl]sulfonyl]-2-(5-tetrazolidinyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 799.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.5±35.7 °C
Index of Refraction: 1.709
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 256 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

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