ChemSpider 2D Image | N,N'-Bis(4-{[(3R)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)isophthalamide | C54H66N8O14S2

N,N'-Bis(4-{[(3R)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)isophthalamide

  • Molecular FormulaC54H66N8O14S2
  • Average mass1115.277 Da
  • Monoisotopic mass1114.413940 Da
  • ChemSpider ID23260490

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis[4-[[(3R)-3-[([1,1'-biphenyl]-4-ylsulfonyl)(1-methylethoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino]-4-oxobutyl]- [ACD/Index Name]
N,N'-Bis(4-{[(3R)-3-[(4-biphénylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)isophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis(4-{[(3R)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)isophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis(4-{[(3R)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)isophthalamide [ACD/IUPAC Name]
N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
0Y3
CHEMBL262397
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL262397/
N-(3-{(R)-3-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-3-hydroxycarbamoyl-propylcarbamoyl}-propyl)-N'-{3-[3-[(biphenyl-4-sulfonyl)-isopropoxy-amino]-3-((R)-hydroxycarbamoyl)-propylcarbamoyl]-propyl}-isophthalamide

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: 1.600
Molar Refractivity: 291.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 8
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.50
ACD/KOC (pH 5.5): 738.95
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.03
ACD/KOC (pH 7.4): 723.77
Polar Surface Area: 325 Å2
Polarizability: 115.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 850.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement