1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-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-(1H-indol-3-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB35-0100 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C17 H17 F2 N5 O |
| Smiles: | Cc1nc([C@@H]2CC(CN2C(Cc2c[nH]c3ccccc23)=O)(F)F)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1092 |
| logD: | 2.1085 |
| logSw: | -2.6788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.621 |
| InChI Key: | MOHGFBLUIGTLEL-CQSZACIVSA-N |