ChemSpider 2D Image | Cefrotil | C20H22N4O4S

Cefrotil

  • Molecular FormulaC20H22N4O4S
  • Average mass414.478 Da
  • Monoisotopic mass414.136169 Da
  • ChemSpider ID28567360

More details:

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

3-Methyl-8-oxo-7-({[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-8-oxo-7-({[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]acetyl]amino]- [ACD/Index Name]
Acide 3-méthyl-8-oxo-7-({2-[4-(1,4,5,6-tétrahydro-2-pyrimidinyl)phényl]acétyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Cefrotil [INN]
(6R,7R)-3-Methyl-8-oxo-7-(2-(p-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

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

44P98H0A27 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.5±3.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 268.0±7.0 cm3

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