N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1193 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(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@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)ccc1OC |
| Stereo: | RELATIVE |
| logP: | 2.4797 |
| logD: | 1.5434 |
| logSw: | -2.8698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.569 |
| InChI Key: | ZHPJNGVEWVKHQM-PMACEKPBSA-N |