ChemSpider 2D Image | N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-7a-methyl-N-(3-methylbutyl)-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide | C24H31N5O4S

N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-7a-methyl-N-(3-methylbutyl)-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

  • Molecular FormulaC24H31N5O4S
  • Average mass485.599 Da
  • Monoisotopic mass485.209686 Da
  • ChemSpider ID21958288

More details:

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

N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-7a-methyl-N-(3-methylbutyl)-5-oxohexahydropyrrolo[2,1-b][1,3]thiazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-7a-methyl-N-(3-methylbutyl)-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-7a-méthyl-N-(3-méthylbutyl)-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]thiazole-3-carboxamide, N-[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]hexahydro-7a-methyl-N-(3-methylbutyl)-5-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.17
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.71
Polar Surface Area: 141 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 353.6±5.0 cm3

Click to predict properties on the Chemicalize site


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