2-methoxy-N-[rel-(3R,4S)-1-(3-methoxy-2-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[rel-(3R,4S)-1-(3-methoxy-2-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[rel-(3R,4S)-1-(3-methoxy-2-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1404 |
| Compound Name: | 2-methoxy-N-[rel-(3R,4S)-1-(3-methoxy-2-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | Cc1c(cccc1OC)C(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2368 |
| logD: | 2.2325 |
| logSw: | -3.0678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.082 |
| InChI Key: | GQMCXKKKXUBMDH-RTBURBONSA-N |