ChemSpider 2D Image | (2-Chloro-4-{(E)-[5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid | C26H22Cl2N2O7S

(2-Chloro-4-{(E)-[5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid

  • Molecular FormulaC26H22Cl2N2O7S
  • Average mass577.433 Da
  • Monoisotopic mass576.052490 Da
  • ChemSpider ID4503368

  • Double-bond stereo - Double-bond stereo

More details:

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

(2-Chlor-4-{(E)-[5-(2-chlorphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}-6-methoxyphenoxy)essigsäure [German] [ACD/IUPAC Name]
(2-Chloro-4-{(E)-[5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(carboxymethoxy)-3-chloro-5-methoxyphenyl]methylene]-5-(2-chlorophenyl)-2,3-dihydro-7-methyl-3-oxo-, 6-ethyl ester, (2E)- [ACD/Index Name]
Acide (2-chloro-4-{(E)-[5-(2-chlorophényl)-6-(éthoxycarbonyl)-7-méthyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}-6-méthoxyphénoxy)acétique [French] [ACD/IUPAC Name]
2-[2-CHLORO-4-[(E)-[5-(2-CHLOROPHENYL)-6-ETHOXYCARBONYL-7-METHYL-3-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-2-YLIDENE]METHYL]-6-METHOXYPHENOXY]ACETIC ACID
2-[4-[(E)-[6-carbethoxy-5-(2-chlorophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-chloro-6-methoxy-phenoxy]acetic acid

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

BIM-0007050.P001 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 711.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 7.86
ACD/KOC (pH 5.5): 29.42
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 140 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

Click to predict properties on the Chemicalize site


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