ChemSpider 2D Image | 4-({2-[(4-Chloro-3-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methyl-2-pyridinecarboxamide | C26H26ClN5O4

4-({2-[(4-Chloro-3-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC26H26ClN5O4
  • Average mass507.969 Da
  • Monoisotopic mass507.167328 Da
  • ChemSpider ID9795158

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 4-[[2-[[4-chloro-3-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]phenyl]amino]-5-benzoxazolyl]oxy]-N-methyl- [ACD/Index Name]
4-({2-[(4-Chlor-3-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-({2-[(4-Chloro-3-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
4-({2-[(4-Chloro-3-{[(2S)-1-méthyl-2-pyrrolidinyl]méthoxy}phényl)amino]-1,3-benzoxazol-5-yl}oxy)-N-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
4-({2-[(4-Chloro-3-{[(2s)-1-Methylpyrrolidin-2-Yl]methoxy}phenyl)amino]-1,3-Benzoxazol-5-Yl}oxy)-N-Methylpyridine-2-Carboxamide
2-aminobenzoxazole, 22
4-((2-((4-CHLORO-3-((((2S)-1-METHYL-2-PYRROLIDINYL)METHYL)OXY)-PHENYL)AMINO)-1,3-BENZOXAZOL-5-YL)OXY)-N-METHYL-2-PYRIDINECARBOXAMIDE
769960-39-6 [RN]

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

857 [DBID]

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: 1.645
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.33
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 28.17
Polar Surface Area: 102 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement