1-{[(2S)-1-(3-acetamidobenzoyl)pyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(3-acetamidobenzoyl)pyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(3-acetamidobenzoyl)pyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1050 |
| Compound Name: | 1-{[(2S)-1-(3-acetamidobenzoyl)pyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | CC(Nc1cccc(c1)C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7248 |
| logD: | 1.7248 |
| logSw: | -2.1333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.087 |
| InChI Key: | LMLLIWLFFCTNSK-NRFANRHFSA-N |