ChemSpider 2D Image | 6-{4-[(4-Chloro-3-nitro-1-pyrazolidinyl)methyl]-3-methoxyphenyl}-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C16H15ClN6O4S

6-{4-[(4-Chloro-3-nitro-1-pyrazolidinyl)methyl]-3-methoxyphenyl}-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID111241420

More details:

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

5-Pyrimidinecarbonitrile, 6-[4-[(4-chloro-3-nitro-1-pyrazolidinyl)methyl]-3-methoxyphenyl]-1,2,3,4-tetrahydro-4-oxo-2-thioxo- [ACD/Index Name]
6-{4-[(4-Chlor-3-nitro-1-pyrazolidinyl)methyl]-3-methoxyphenyl}-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-{4-[(4-Chloro-3-nitro-1-pyrazolidinyl)methyl]-3-methoxyphenyl}-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-{4-[(4-Chloro-3-nitro-1-pyrazolidinyl)méthyl]-3-méthoxyphényl}-4-oxo-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 264.0±5.0 cm3

Click to predict properties on the Chemicalize site


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