ChemSpider 2D Image | 2-Chloro-N-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}isonicotinamide | C25H33ClN4O4S

2-Chloro-N-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}isonicotinamide

  • Molecular FormulaC25H33ClN4O4S
  • Average mass521.072 Da
  • Monoisotopic mass520.191101 Da
  • ChemSpider ID5477884

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Chlor-N-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}isonicotinamid [German] [ACD/IUPAC Name]
2-Chloro-N-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}isonicotinamide [ACD/IUPAC Name]
2-Chloro-N-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxyméthyl)-4-[2-(isopropylamino)-2-oxoéthyl]-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl}isonicotinamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[[(2-chloro-4-pyridinyl)carbonyl]amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-N-(1-methylethyl)-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC04222378 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 17.68
ACD/KOC (pH 5.5): 153.49
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 13.53
Polar Surface Area: 153 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 397.1±3.0 cm3

Click to predict properties on the Chemicalize site


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