1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-1,5-dihydro-2H-pyrrol-2-one
1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | C202-3659 |
| Compound Name: | 1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(4-chlorophenyl)-3-hydroxy-4-phenyl-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 474.97 |
| Molecular Formula: | C25 H19 Cl N4 O2 S |
| Smiles: | C(c1ccccc1)Sc1nc([nH]n1)N1C(C(=C(C1=O)O)c1ccccc1)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0967 |
| logD: | 5.09 |
| logSw: | -5.4985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.911 |
| InChI Key: | NODQUBRAOVPPRD-OAQYLSRUSA-N |