5-[(2S)-4,4-difluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[(2S)-4,4-difluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
5-[(2S)-4,4-difluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB35-1065 |
| Compound Name: | 5-[(2S)-4,4-difluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C16 H20 F2 N4 |
| Smiles: | Cc1nc([C@@H]2CC(CN2CCCc2ccccc2)(F)F)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9326 |
| logD: | 2.9316 |
| logSw: | -3.0402 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.506 |
| InChI Key: | TUCXAHPQURGXFI-CQSZACIVSA-N |