ChemSpider 2D Image | N-[(4-{[(2R)-6-Amino-1-(phenylsulfanyl)-2-hexanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide | C32H41N5O5S2

N-[(4-{[(2R)-6-Amino-1-(phenylsulfanyl)-2-hexanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide

  • Molecular FormulaC32H41N5O5S2
  • Average mass639.828 Da
  • Monoisotopic mass639.254883 Da
  • ChemSpider ID9860753

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[[4-[[(1R)-5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitrophenyl]sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)- [ACD/Index Name]
N-[(4-{[(2R)-6-Amino-1-(phenylsulfanyl)-2-hexanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamid [German] [ACD/IUPAC Name]
N-[(4-{[(2R)-6-Amino-1-(phenylsulfanyl)-2-hexanyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethyl-1-piperidinyl)benzamide [ACD/IUPAC Name]
N-[(4-{[(2R)-6-Amino-1-(phénylsulfanyl)-2-hexanyl]amino}-3-nitrophényl)sulfonyl]-4-(4,4-diméthyl-1-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
N-[(4-{[(2R)-6-amino-1-(phenylsulfanyl)hexan-2-yl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
4-((R)-5-amino-1-phenylsulfanylmethylpentylamino)-N-[4-(4,4-dimethylpiperidin-1-yl)benzoyl]-3-nitrobenzenesulfonamide
CHEMBL370836
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL370836/

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: 1.653
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 9.28
ACD/KOC (pH 5.5): 21.34
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 41.48
ACD/KOC (pH 7.4): 95.41
Polar Surface Area: 184 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

Click to predict properties on the Chemicalize site


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