N-benzyl-1-{[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-0996 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5938 |
| logD: | 2.5938 |
| logSw: | -2.7936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.826 |
| InChI Key: | XSNFSSMVOVRNCJ-FQEVSTJZSA-N |