4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | Y070-1007 |
| Compound Name: | 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 456.86 |
| Molecular Formula: | C20 H13 Cl N4 O5 S |
| Smiles: | Cc1nnc(N2C(C(=C(C2=O)O)C(c2ccc(cc2)[Cl])=O)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3076 |
| logD: | 3.2588 |
| logSw: | -3.7727 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.722 |
| InChI Key: | IGSBBOYPTIMRJA-MRXNPFEDSA-N |