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 |