1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0127 |
| Compound Name: | 1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H31 F N6 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(CN2CCCCCC2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.814 |
| logD: | 0.1631 |
| logSw: | -1.3464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.813 |
| InChI Key: | NVSNGVGIAIFVED-JKSUJKDBSA-N |