3-hydroxy-4-(4-methylbenzoyl)-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-4-(4-methylbenzoyl)-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-(4-methylbenzoyl)-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-0066 |
| Compound Name: | 3-hydroxy-4-(4-methylbenzoyl)-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(N1c1nncs1)=O)O)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5084 |
| logD: | 4.4597 |
| logSw: | -4.238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.565 |
| InChI Key: | BQONSNKJBVVGTG-LJQANCHMSA-N |