N-benzyl-1-({(2S)-1-[(4-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-1-[(4-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-1-[(4-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0997 |
| Compound Name: | N-benzyl-1-({(2S)-1-[(4-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | Cc1ccc(CC(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8128 |
| logD: | 2.8127 |
| logSw: | -3.0222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.298 |
| InChI Key: | MPBFLRIQICMIPX-NRFANRHFSA-N |