ChemSpider 2D Image | 2-{[(4-{4-[(Isopropylsulfanyl)methyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C23H32N6O3S2

2-{[(4-{4-[(Isopropylsulfanyl)methyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID67055012

More details:






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

1-Piperazineacetamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-4-[1,6-dihydro-4-[[(1-methylethyl)thio]methyl]-6-oxo-2-pyrimidinyl]- [ACD/Index Name]
2-{[(4-{4-[(Isopropylsulfanyl)methyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-{[(4-{4-[(Isopropylsulfanyl)methyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-piperazinyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-{[2-(4-{4-[(Isopropylsulfanyl)méthyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}-1-pipérazinyl)acétyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.04
ACD/KOC (pH 5.5): 350.55
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.10
ACD/KOC (pH 7.4): 416.15
Polar Surface Area: 174 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 340.0±7.0 cm3

Click to predict properties on the Chemicalize site






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