ChemSpider 2D Image | N-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-methoxypropyl)carbamothioyl]-1-adamantanecarboxamide | C27H35N5O4S

N-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-methoxypropyl)carbamothioyl]-1-adamantanecarboxamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID4217859

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)(3-methoxypropyl)carbamothioyl]-1-adamantancarboxamid [German] [ACD/IUPAC Name]
N-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(3-methoxypropyl)carbamothioyl]-1-adamantanecarboxamide [ACD/IUPAC Name]
N-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(3-méthoxypropyl)carbamothioyl]-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](3-methoxypropyl)amino]thioxomethyl]- [ACD/Index Name]
N-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-(3-methoxypropyl)thiocarbamoyl]adamantane-1-carboxamide

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: 1.665
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.43
ACD/KOC (pH 5.5): 222.74
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 180.40
Polar Surface Area: 149 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

Click to predict properties on the Chemicalize site


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