ChemSpider 2D Image | 7170 | C35H55N5O6S2

7170

  • Molecular FormulaC35H55N5O6S2
  • Average mass705.971 Da
  • Monoisotopic mass705.359375 Da
  • ChemSpider ID2343224
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(S)-N-((1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-a-((aS)-a-(((4-methyl-1-piperazinyl)sulfonyl)methyl)hydrocinnamamido)-4-thiazolepropionamide
138742-43-5 [RN]
138810-64-7 [RN]
4-Thiazolepropanamide, N-((1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-α-(((2S)-2-(((4-methyl-1-piperazinyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (αS)-
4-Thiazolepropanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-α-[[(2S)-3-[(4-methyl-1-piperazinyl)sulfonyl]-1-oxo-2-(phenylmethyl)propyl]amino]-, (αS)- [ACD/Index Name]
7170
I36B16A34Q
N2-{(2S)-2-Benzyl-3-[(4-methyl-1-piperazinyl)sulfonyl]propanoyl}-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-(1,3-thiazol-4-yl)-L-alaninamid [German] [ACD/IUPAC Name]
N2-{(2S)-2-Benzyl-3-[(4-methyl-1-piperazinyl)sulfonyl]propanoyl}-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-3-(1,3-thiazol-4-yl)-L-alaninamide [ACD/IUPAC Name]
N2-{(2S)-2-Benzyl-3-[(4-méthyl-1-pipérazinyl)sulfonyl]propanoyl}-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl]-3-(1,3-thiazol-4-yl)-L-alaninamide [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A 72517 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 190.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 32.64
ACD/KOC (pH 5.5): 259.08
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 171.15
ACD/KOC (pH 7.4): 1358.58
Polar Surface Area: 189 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 555.6±5.0 cm3

Click to predict properties on the Chemicalize site






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