4-benzyl-5-[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0239 |
| Compound Name: | 4-benzyl-5-[1-(3-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C20 H21 F N4 O3 S |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2S(c2cccc(c2)F)(=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.314 |
| logD: | 3.314 |
| logSw: | -3.7501 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.644 |
| InChI Key: | SFFBVCJGNCLOGU-SFHVURJKSA-N |