ChemSpider 2D Image | 3-{1-[(4-Chlorophenyl)sulfanyl]-4-methyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]-4,5-dihydro-1H-pyrano[2,3,4-cd]indol-2-yl}-2,2-dimethylpropanoic acid | C35H33ClN2O3S

3-{1-[(4-Chlorophenyl)sulfanyl]-4-methyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]-4,5-dihydro-1H-pyrano[2,3,4-cd]indol-2-yl}-2,2-dimethylpropanoic acid

  • Molecular FormulaC35H33ClN2O3S
  • Average mass597.166 Da
  • Monoisotopic mass596.190063 Da
  • ChemSpider ID2340639

More details:

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

1H-Pyrano[2,3,4-cd]indole-2-propanoic acid, 1-[(4-chlorophenyl)thio]-4,5-dihydro-α,α,4-trimethyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]- [ACD/Index Name]
3-{1-[(4-Chlorophenyl)sulfanyl]-4-methyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]-4,5-dihydro-1H-pyrano[2,3,4-cd]indol-2-yl}-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-{1-[(4-Chlorphenyl)sulfanyl]-4-methyl-6-[2-(5-phenyl-2-pyridinyl)ethyl]-4,5-dihydro-1H-pyrano[2,3,4-cd]indol-2-yl}-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
Acide 3-{1-[(4-chlorophényl)sulfanyl]-4-méthyl-6-[2-(5-phényl-2-pyridinyl)éthyl]-4,5-dihydro-1H-pyrano[2,3,4-cd]indol-2-yl}-2,2-diméthylpropanoïque [French] [ACD/IUPAC Name]
146775-25-9 [RN]
1H-Thiopyrano[2,3,4-cd]indole-2-propanoicacid, 1-[(4-chlorophenyl)methyl]-4,5-dihydro-a,a,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-
3-(1-(4-CHLOROBENZYL)-4-METHYL-6-(5-PHENYL(PYRIDIN-2-YL)METHOXY)-4,5-DIHYDRO-1H-THIOPYRANO(2,3,4-C,D)INDOL-2-YL)- 2,2-DIMETHYLPROPANOIC ACID
3-(1-(4-Chlorobenzyl)-4-methyl-6-(5-phenylpyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano(2,3,4-c,d)indol-2-yl)-2,2-dimethylpropanoic acid

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

L 689065 [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: 765.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.7±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 171.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 44011.74
ACD/KOC (pH 5.5): 35438.88
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 1026.26
ACD/KOC (pH 7.4): 826.35
Polar Surface Area: 90 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 467.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement