ChemSpider 2D Image | Methyl [(2S)-1-{[4-(5-{3-chloro-5-[(isopropylsulfonyl)amino]phenyl}-2-cyclopropyl-1H-imidazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate | C24H30ClN7O4S

Methyl [(2S)-1-{[4-(5-{3-chloro-5-[(isopropylsulfonyl)amino]phenyl}-2-cyclopropyl-1H-imidazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID34954977

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-{[4-(5-{3-Chloro-5-[(isopropylsulfonyl)amino]phényl}-2-cyclopropyl-1H-imidazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[4-[5-[3-chloro-5-[[(1-methylethyl)sulfonyl]amino]phenyl]-2-cyclopropyl-1H-imidazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester [ACD/Index Name]
Methyl [(2S)-1-{[4-(5-{3-chloro-5-[(isopropylsulfonyl)amino]phenyl}-2-cyclopropyl-1H-imidazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{[4-(5-{3-chlor-5-[(isopropylsulfonyl)amino]phenyl}-2-cyclopropyl-1H-imidazol-4-yl)-2-pyrimidinyl]amino}-2-propanyl]carbamat [German] [ACD/IUPAC Name]
US8563553, 61

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: 1.630
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 301.48
ACD/KOC (pH 5.5): 2056.97
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 131.18
ACD/KOC (pH 7.4): 895.06
Polar Surface Area: 159 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 390.0±3.0 cm3

Click to predict properties on the Chemicalize site


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