ChemSpider 2D Image | 7-{3-[2-(Cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid | C30H35NO6S

7-{3-[2-(Cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid

  • Molecular FormulaC30H35NO6S
  • Average mass537.667 Da
  • Monoisotopic mass537.218506 Da
  • ChemSpider ID176760

More details:

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

2H-1-Benzopyran-2-carboxylic acid, 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(4-thiazolyl)phenoxy]propoxy]-3,4-dihydro-8-propyl- [ACD/Index Name]
7-{3-[2-(Cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy}-8-propyl-2-chromancarbonsäure [German] [ACD/IUPAC Name]
7-{3-[2-(Cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy}-8-propyl-2-chromanecarboxylic acid [ACD/IUPAC Name]
7-{3-[2-(cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy}-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Acide 7-{3-[2-(cyclopropylméthyl)-3-méthoxy-4-(1,3-thiazol-4-yl)phénoxy]propoxy}-8-propyl-2-chromanecarboxylique [French] [ACD/IUPAC Name]
138828-39-4 [RN]
2H-1-Benzopyran-2-carboxylic acid, 7-(3-(2-(cyclopropylmethyl)-3-methoxy-4-(4-thiazolyl)phenoxy)propoxy)-3,4-dihydro-8-propyl-
7-(3-(3-Methoxy-2-(cyclopropylmethyl)-4-(4-thiazolyl)phenoxy)propoxy)-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid
7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid

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

SC 50605 [DBID]
SC-50605 [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: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 179.12
ACD/KOC (pH 5.5): 307.27
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 9.25
ACD/KOC (pH 7.4): 15.87
Polar Surface Area: 115 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 428.4±3.0 cm3

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