5-{(2S)-4,4-difluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{(2S)-4,4-difluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-3-methyl-1H-1,2,4-triazole
5-{(2S)-4,4-difluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB35-1023 |
| Compound Name: | 5-{(2S)-4,4-difluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C13 H16 F2 N4 S |
| Smiles: | Cc1nc([C@@H]2CC(CN2Cc2ccc(C)s2)(F)F)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.5385 |
| logD: | 2.5373 |
| logSw: | -2.6078 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.546 |
| InChI Key: | HJVCNGMFKJLFGW-NSHDSACASA-N |