N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-0376 |
| Compound Name: | N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C20 H22 N6 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2cccnc2)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.0854 |
| logD: | 1.0838 |
| logSw: | -1.2237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.992 |
| InChI Key: | ROPBPINKCVZQDL-ZWKOTPCHSA-N |