N-[rel-(3R,4S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1252 |
| Compound Name: | N-[rel-(3R,4S)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | Cc1c(CCC(N2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0629 |
| logD: | 1.0625 |
| logSw: | -2.2819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.365 |
| InChI Key: | ZCMLSYILDLHLIE-OALUTQOASA-N |