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Search term: OFTSPVADFMQIGQ-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Benzyl-3-{[(4S)-2-imino-4-isopropyl-4-methyl-6-oxotetrahydro-1(2H)-pyrimidinyl]methyl}benzamide | C23H28N4O2

N-Benzyl-3-{[(4S)-2-imino-4-isopropyl-4-methyl-6-oxotetrahydro-1(2H)-pyrimidinyl]methyl}benzamide

  • Molecular FormulaC23H28N4O2
  • Average mass392.494 Da
  • Monoisotopic mass392.221222 Da
  • ChemSpider ID35035595

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-(phenylmethyl)-3-[[(4S)-tetrahydro-2-imino-4-methyl-4-(1-methylethyl)-6-oxo-1(2H)-pyrimidinyl]methyl]- [ACD/Index Name]
N-Benzyl-3-{[(2z,4s)-2-Imino-4-Methyl-6-Oxo-4-(Propan-2-Yl)tetrahydropyrimidin-1(2h)-Yl]methyl}benzamide
N-Benzyl-3-{[(4S)-2-imino-4-isopropyl-4-methyl-6-oxotetrahydro-1(2H)-pyrimidinyl]methyl}benzamid [German] [ACD/IUPAC Name]
N-Benzyl-3-{[(4S)-2-imino-4-isopropyl-4-methyl-6-oxotetrahydro-1(2H)-pyrimidinyl]methyl}benzamide [ACD/IUPAC Name]
N-Benzyl-3-{[(4S)-2-imino-4-isopropyl-4-méthyl-6-oxotétrahydro-1(2H)-pyrimidinyl]méthyl}benzamide [French] [ACD/IUPAC Name]
70X

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.59
ACD/KOC (pH 5.5): 343.04
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.64
ACD/KOC (pH 7.4): 384.02
Polar Surface Area: 85 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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