1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | C202-3660 |
| Compound Name: | 1-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C26 H21 F N4 O3 S |
| Smiles: | COc1ccc(cc1)C1C(c2ccccc2F)N(C(C=1O)=O)c1nc(n[nH]1)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.776 |
| logD: | 4.7693 |
| logSw: | -4.5034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.454 |
| InChI Key: | JGUYBCWNVXFGCO-JOCHJYFZSA-N |