ChemSpider 2D Image | 4-(2-Amino-1,3-benzothiazol-4-yl)-N~1~-[(1-aminocyclopropyl)methyl]-3-(5-tetrazolidinyl)-1,2-benzenedisulfonamide | C18H23N9O4S3

4-(2-Amino-1,3-benzothiazol-4-yl)-N1-[(1-aminocyclopropyl)methyl]-3-(5-tetrazolidinyl)-1,2-benzenedisulfonamide

  • Molecular FormulaC18H23N9O4S3
  • Average mass525.628 Da
  • Monoisotopic mass525.103516 Da
  • ChemSpider ID128991800

More details:

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

1,2-Benzenedisulfonamide, 4-(2-amino-4-benzothiazolyl)-N1-[(1-aminocyclopropyl)methyl]-3-(5-tetrazolidinyl)- [ACD/Index Name]
4-(2-Amino-1,3-benzothiazol-4-yl)-N1-[(1-aminocyclopropyl)methyl]-3-(5-tetrazolidinyl)-1,2-benzenedisulfonamide [ACD/IUPAC Name]
4-(2-Amino-1,3-benzothiazol-4-yl)-N1-[(1-aminocyclopropyl)méthyl]-3-(5-tétrazolidinyl)-1,2-benzènedisulfonamide [French] [ACD/IUPAC Name]
4-(2-Amino-1,3-benzothiazol-4-yl)-N1-[(1-aminocyclopropyl)methyl]-3-(5-tetrazolidinyl)-1,2-benzoldisulfonamid [German] [ACD/IUPAC 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: 796.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.5±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.52
Polar Surface Area: 264 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement