Found 1 result

Search term: QRGGVLXBPSQEDF-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide | C27H32ClN9O2S

(4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC27H32ClN9O2S
  • Average mass582.120 Da
  • Monoisotopic mass581.208801 Da
  • ChemSpider ID26325609

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-3-(4-[4-(2-Chlorophenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-(4-[4-(2-Chlorophényl)-1-pipérazinyl]-6-{[2-méthyl-6-(méthylcarbamoyl)phényl]amino}-1,3,5-triazin-2-yl)-N-méthyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(4r)-3-(4-[4-(2-Chlorophenyl)piperazin-1-Yl]-6-{[2-Methyl-6-(Methylcarbamoyl)phenyl]amino}-1,3,5-Triazin-2-Yl)-N-Methyl-1,3-Thiazolidine-4-Carboxamide
(4R)-3-(4-[4-(2-Chlorphenyl)-1-piperazinyl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-[[2-methyl-6-[(methylamino)carbonyl]phenyl]amino]-1,3,5-triazin-2-yl]-N-methyl-, (4R)- [ACD/Index Name]
4LI
PDF inhibitor, compound 3

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: 158.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 15.97
ACD/KOC (pH 5.5): 200.96
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.24
ACD/KOC (pH 7.4): 443.36
Polar Surface Area: 144 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 425.3±3.0 cm3

Click to predict properties on the Chemicalize site


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