N-[rel-(3R,4S)-1-[(4-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(4-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1205 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | Cc1ccc(CC(N2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2691 |
| logD: | 2.2686 |
| logSw: | -2.8356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.326 |
| InChI Key: | IYYSIFUHRMOGCI-PMACEKPBSA-N |