N-[(3S,5S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0984 |
| Compound Name: | N-[(3S,5S)-1-[(4-methoxy-3-methylphenyl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1cc(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)ccc1OC |
| Stereo: | ABSOLUTE |
| logP: | 2.8049 |
| logD: | 2.7997 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.105 |
| InChI Key: | HTIZTMLZEUQQCI-VQTJNVASSA-N |