N-benzyl-1-({(2S)-1-[(3-chlorophenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[(3-chlorophenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[(3-chlorophenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0224 |
| Compound Name: | N-benzyl-1-({(2S)-1-[(3-chlorophenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 437.93 |
| Molecular Formula: | C23 H24 Cl N5 O2 |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)C(Cc1cccc(c1)[Cl])=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0904 |
| logD: | 3.0903 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.298 |
| InChI Key: | IHMNKKXJPOVJQK-FQEVSTJZSA-N |