4-(5-{[6-(ethoxycarbonyl)-3-oxo-7-phenyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[6-(ethoxycarbonyl)-3-oxo-7-phenyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[6-(ethoxycarbonyl)-3-oxo-7-phenyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4489-5950 |
| Compound Name: | 4-(5-{[6-(ethoxycarbonyl)-3-oxo-7-phenyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 618.71 |
| Molecular Formula: | C36 H30 N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)N2C(=NC=1c1ccccc1)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6294 |
| logD: | 4.9016 |
| logSw: | -5.8693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.955 |
| InChI Key: | HOQXGJBILRUAFP-JGCGQSQUSA-N |