N-benzyl-1-{[(2S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1015 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | Cc1cc(ccc1C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.7919 |
| logD: | 2.7919 |
| logSw: | -3.2113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.369 |
| InChI Key: | ZFGVDAWMVDXIPP-IBGZPJMESA-N |