ChemSpider 2D Image | (4S)-6-Chloro-7-(4-{[2-(4-chloro-2-methoxyphenyl)ethyl]carbamoyl}phenoxy)-4-chromanecarboxylic acid | C26H23Cl2NO6

(4S)-6-Chloro-7-(4-{[2-(4-chloro-2-methoxyphenyl)ethyl]carbamoyl}phenoxy)-4-chromanecarboxylic acid

  • Molecular FormulaC26H23Cl2NO6
  • Average mass516.370 Da
  • Monoisotopic mass515.090271 Da
  • ChemSpider ID64854091

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6-Chlor-7-(4-{[2-(4-chlor-2-methoxyphenyl)ethyl]carbamoyl}phenoxy)-4-chromancarbonsäure [German] [ACD/IUPAC Name]
(4S)-6-Chloro-7-(4-{[2-(4-chloro-2-methoxyphenyl)ethyl]carbamoyl}phenoxy)-4-chromanecarboxylic acid [ACD/IUPAC Name]
(4S)-6-Chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
1202891-16-4 [RN]
2H-1-Benzopyran-4-carboxylic acid, 6-chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]phenoxy]-3,4-dihydro-, (4S)- [ACD/Index Name]
Acide (4S)-6-chloro-7-(4-{[2-(4-chloro-2-méthoxyphényl)éthyl]carbamoyl}phénoxy)-4-chromanecarboxylique [French] [ACD/IUPAC Name]
Arry-502

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

5LO1ZK1LCW [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 181.51
ACD/KOC (pH 5.5): 466.29
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 10.31
Polar Surface Area: 94 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

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