(2S,4S)-N-benzyl-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-N-benzyl-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
(2S,4S)-N-benzyl-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB29-0500 |
| Compound Name: | (2S,4S)-N-benzyl-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(NCc2ccccc2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5714 |
| logD: | 3.57 |
| logSw: | -3.6696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.162 |
| InChI Key: | CLHFMWYNMLGOBC-RTWAWAEBSA-N |