ChemSpider 2D Image | 2-Methyl-2-propanyl 2-({3-[4-(ethylsulfonyl)phenoxy]-5-[(1-methoxy-2-propanyl)oxy]benzoyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate | C30H37N3O8S2

2-Methyl-2-propanyl 2-({3-[4-(ethylsulfonyl)phenoxy]-5-[(1-methoxy-2-propanyl)oxy]benzoyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID90640837

More details:

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

2-({3-[4-(Éthylsulfonyl)phénoxy]-5-[(1-méthoxy-2-propanyl)oxy]benzoyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-({3-[4-(ethylsulfonyl)phenoxy]-5-[(1-methoxy-2-propanyl)oxy]benzoyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-({3-[4-(ethylsulfonyl)phenoxy]-5-[(1-methoxy-2-propanyl)oxy]benzoyl}amino)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-carboxylat [German] [ACD/IUPAC Name]
Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-[[3-[4-(ethylsulfonyl)phenoxy]-5-(2-methoxy-1-methylethoxy)benzoyl]amino]-6,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]

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: 1.587
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1214.53
ACD/KOC (pH 5.5): 5499.95
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 196.79
ACD/KOC (pH 7.4): 891.17
Polar Surface Area: 170 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 485.2±3.0 cm3

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