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Search term: WWIPZQVVSVLGCO-XMMPIXPASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{2-[4-(3-{4-[(4-Carboxybenzyl)oxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-N~2~-(diaminomethylene)-D-leucinamide | C32H39Cl2N7O5

N-{2-[4-(3-{4-[(4-Carboxybenzyl)oxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-N2-(diaminomethylene)-D-leucinamide

  • Molecular FormulaC32H39Cl2N7O5
  • Average mass672.602 Da
  • Monoisotopic mass671.238953 Da
  • ChemSpider ID9127715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzoic acid, 4-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-[(diaminomethylene)amino]-4-methyl-1-oxopentyl]amino]acetyl]-4-piperidinyl]-1-methyl-1H-pyrazol-3-yl]phenoxy]methyl]- [ACD/Index Name]
N-{2-[4-(3-{4-[(4-Carboxybenzyl)oxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-N2-(diaminomethylene)-D-leucinamide [ACD/IUPAC Name]
N-{2-[4-(3-{4-[(4-Carboxybenzyl)oxy]-2,3-dichlorophényl}-1-méthyl-1H-pyrazol-5-yl)-1-pipéridinyl]-2-oxoéthyl}-N2-(diaminométhylène)-D-leucinamide [French] [ACD/IUPAC Name]
N-{2-[4-(3-{4-[(4-carboxybenzyl)oxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-N2-(diaminomethylidene)-D-leucinamide
N-{2-[4-(3-{4-[(4-Carboxybenzyl)oxy]-2,3-dichlorphenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-N2-(diaminomethylen)-D-leucinamid [German] [ACD/IUPAC Name]
4-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-1-oxo-pentylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-benzoic acid
CHEMBL104594

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: 1.657
Molar Refractivity: 174.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 19.11
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 17.54
Polar Surface Area: 178 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 473.3±7.0 cm3

Click to predict properties on the Chemicalize site


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