ChemSpider 2D Image | 2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[oxo(propan-2-yloxy)methyl]-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | C26H23ClN2O6S

2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[oxo(propan-2-yloxy)methyl]-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

  • Molecular FormulaC26H23ClN2O6S
  • Average mass526.989 Da
  • Monoisotopic mass526.096558 Da
  • ChemSpider ID4698627

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{(Z)-[5-(4-Chlorophenyl)-6-(isopropoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid [ACD/IUPAC Name]
(4-{(Z)-[5-(4-Chlorphenyl)-6-(isopropoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[oxo(propan-2-yloxy)methyl]-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(carboxymethoxy)phenyl]methylene]-5-(4-chlorophenyl)-2,3-dihydro-7-methyl-3-oxo-, 6-(1-methylethyl) ester, (2Z)- [ACD/Index Name]
Acide (4-{(Z)-[5-(4-chlorophényl)-6-(isopropoxycarbonyl)-7-méthyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}phénoxy)acétique [French] [ACD/IUPAC Name]
(4-{(Z)-[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[(propan-2-yloxy)carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid
{4-[(5-(4-chlorophenyl)-6-(isopropoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
CID 5777336

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

AN-648/15597772 [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: 685.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.6±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 23.09
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 131 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 375.4±7.0 cm3

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