methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | 4622-8555 |
| Compound Name: | methyl 4-[1-(1,3-benzothiazol-2-yl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 504.95 |
| Molecular Formula: | C26 H17 Cl N2 O5 S |
| Smiles: | COC(c1ccc(cc1)C1C(=C(C(N1c1nc2ccccc2s1)=O)O)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6393 |
| logD: | 5.4969 |
| logSw: | -6.0338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.925 |
| InChI Key: | YPRBGGORIUNKEU-OAQYLSRUSA-N |