ChemSpider 2D Image | 7-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid | C18H23N9O4S3

7-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

  • Molecular FormulaC18H23N9O4S3
  • Average mass525.628 Da
  • Monoisotopic mass525.103516 Da
  • ChemSpider ID116927

More details:






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

5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[[2-(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo- [ACD/Index Name]
7-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-en-2-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[2-(2-amino-1,3-thiazol-4-yl)acétyl]amino}-3-[({1-[2-(diméthylamino)éthyl]-1H-tétrazol-5-yl}sulfanyl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ène-2-carboxylique [French] [ACD/IUPAC Name]
142182-63-6 [RN]
5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-
7-(((2-Amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid
δ(3)-Cefotiam

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.855
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 88.7±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

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