ChemSpider 2D Image | (1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid | C35H36ClNO4S

(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid

  • Molecular FormulaC35H36ClNO4S
  • Average mass602.183 Da
  • Monoisotopic mass601.205383 Da
  • ChemSpider ID22547069

  • Double-bond stereo - Double-bond stereo

More details:

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

(1-{[(1-{3-[(E)-2-(7-Chlor-2-chinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)essigsäure [German] [ACD/IUPAC Name]
(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid [ACD/IUPAC Name]
1-((((1R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID
Acide (1-{[(1-{3-[(E)-2-(7-chloro-2-quinoléinyl)vinyl]phényl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phényl]propyl)sulfanyl]méthyl}cyclopropyl)acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[[[1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxy-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]- [ACD/Index Name]
(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxy-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid
184763-26-6 [RN]
184763-29-9 [RN]
2-(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxy-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid
21(R)-Hydroxy Montelukast
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

70RV86E50Q [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: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 7879.57
ACD/KOC (pH 5.5): 12572.03
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 125.96
ACD/KOC (pH 7.4): 200.98
Polar Surface Area: 116 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site


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