3-[(2S)-1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S)-1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
3-[(2S)-1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P930-5513 |
| Compound Name: | 3-[(2S)-1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5-(4-fluorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C20 H21 F N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5778 |
| logD: | 3.5422 |
| logSw: | -3.7247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.299 |
| InChI Key: | KZSKTWHALYPAOV-KRWDZBQOSA-N |