N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-tetrazol-1-yl)acetyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-tetrazol-1-yl)acetyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-tetrazol-1-yl)acetyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-1031 |
| Compound Name: | N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-tetrazol-1-yl)acetyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 381.4 |
| Molecular Formula: | C17 H19 N9 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cn2cnnn2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.1479 |
| logD: | -0.1486 |
| logSw: | -1.7722 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.882 |
| InChI Key: | JOTSPYQCSCYARS-UONOGXRCSA-N |