1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-benzyl-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-benzyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1720 |
| Compound Name: | 1-({(2S,4S)-1-[(azepan-1-yl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C23 H31 F N6 O2 |
| Smiles: | C1CCCN(CC1)CC(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7042 |
| logD: | 1.0533 |
| logSw: | -1.9691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.567 |
| InChI Key: | ZLRLTVUKCHSWBJ-VQTJNVASSA-N |