4-(3-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
4-(3-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3969-0749 |
| Compound Name: | 4-(3-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 621.69 |
| Molecular Formula: | C35 H28 F N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)N2C(=NC=1c1ccccc1)SC(=C/c1cc(C)n(c3ccc(cc3)C(O)=O)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9279 |
| logD: | 4.0417 |
| logSw: | -5.6173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.05 |
| InChI Key: | USCSOQWYYAMWJP-WJOKGBTCSA-N |