N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}benzamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB33-0267 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccs3)C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9022 |
| logD: | 1.1718 |
| logSw: | -2.6792 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.957 |
| InChI Key: | PDMKKQIEZRXMHE-IAGOWNOFSA-N |