ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[5-({[(4S)-4-{4-methoxy-3-[(3R)-tetrahydro-3-furanyloxy]phenyl}-2-oxo-1-pyrrolidinyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxylate | C29H39N5O7S

2-Methyl-2-propanyl 4-[5-({[(4S)-4-{4-methoxy-3-[(3R)-tetrahydro-3-furanyloxy]phenyl}-2-oxo-1-pyrrolidinyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxylate

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID9817624

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[5-[[2-[(4S)-4-[4-methoxy-3-[[(3R)-tetrahydro-3-furanyl]oxy]phenyl]-2-oxo-1-pyrrolidinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[5-({[(4S)-4-{4-methoxy-3-[(3R)-tetrahydro-3-furanyloxy]phenyl}-2-oxo-1-pyrrolidinyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[5-({[(4S)-4-{4-methoxy-3-[(3R)-tetrahydro-3-furanyloxy]phenyl}-2-oxo-1-pyrrolidinyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[5-({2-[(4S)-4-{4-Méthoxy-3-[(3R)-tétrahydro-3-furanyloxy]phényl}-2-oxo-1-pyrrolidinyl]acétyl}amino)-1,3,4-thiadiazol-2-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC 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: 1.597
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.25
ACD/KOC (pH 5.5): 278.16
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 266.92
Polar Surface Area: 161 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 458.2±3.0 cm3

Click to predict properties on the Chemicalize site


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