Found 16 results

Search term: MF = 'C_{41}H_{39}N_{7}O_{4}'
ChemSpider 2D Image | 3-{[(7-Cyano-2-{3'-[(3-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-1,7-naphthyridin-8-yl)amino]-2,2'-dimethyl-3-biphenylyl}-1,3-benzoxazol-5-yl)methyl]amino}cyclobutanecarboxylic acid | C41H39N7O4

3-{[(7-Cyano-2-{3'-[(3-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-1,7-naphthyridin-8-yl)amino]-2,2'-dimethyl-3-biphenylyl}-1,3-benzoxazol-5-yl)methyl]amino}cyclobutanecarboxylic acid

  • Molecular FormulaC41H39N7O4
  • Average mass693.793 Da
  • Monoisotopic mass693.306335 Da
  • ChemSpider ID129089879

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-{[(7-Cyan-2-{3'-[(3-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-1,7-naphthyridin-8-yl)amino]-2,2'-dimethyl-3-biphenylyl}-1,3-benzoxazol-5-yl)methyl]amino}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
3-{[(7-Cyano-2-{3'-[(3-{[(3R)-3-hydroxy-1-pyrrolidinyl]methyl}-1,7-naphthyridin-8-yl)amino]-2,2'-dimethyl-3-biphenylyl}-1,3-benzoxazol-5-yl)methyl]amino}cyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide 3-{[(7-cyano-2-{3'-[(3-{[(3R)-3-hydroxy-1-pyrrolidinyl]méthyl}-1,7-naphtyridin-8-yl)amino]-2,2'-diméthyl-3-biphénylyl}-1,3-benzoxazol-5-yl)méthyl]amino}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-[[[7-cyano-2-[3'-[[3-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-1,7-naphthyridin-8-yl]amino]-2,2'-dimethyl[1,1'-biphenyl]-3-yl]-5-benzoxazolyl]methyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 876.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.6±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 196.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 17.54
Polar Surface Area: 160 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 488.1±5.0 cm3

Click to predict properties on the Chemicalize site


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