1-({(2S,4S)-4-fluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1454 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C17 H24 F N5 O S |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2Cc2ccc(C)s2)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0359 |
| logD: | 2.0067 |
| logSw: | -2.5231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.273 |
| InChI Key: | NHWRXFCFITYCKP-KGLIPLIRSA-N |