1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SB35-0066 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 322.31 |
| Molecular Formula: | C15 H16 F2 N4 O2 |
| Smiles: | Cc1nc([C@@H]2CC(CN2C(COc2ccccc2)=O)(F)F)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6359 |
| logD: | 1.6352 |
| logSw: | -1.991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.25 |
| InChI Key: | CVEJABDQZWYGQW-GFCCVEGCSA-N |