ChemSpider 2D Image | (2R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-piperazinecarboxamide | C23H24ClN5O4S2

(2R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-piperazinecarboxamide

  • Molecular FormulaC23H24ClN5O4S2
  • Average mass534.051 Da
  • Monoisotopic mass533.095825 Da
  • ChemSpider ID395636

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-[(6-Chlor-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2R)-4-[(6-Chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZINE-2-CARBOXAMIDE
(2R)-4-[(6-Chloro-2-naphtyl)sulfonyl]-1-[(5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]-, (2R)- [ACD/Index Name]
1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL] CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE

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

D76 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 793.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.4±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.59
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 17.39
ACD/KOC (pH 7.4): 246.31
Polar Surface Area: 154 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 357.9±3.0 cm3

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