N-{[rel-(3R,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[rel-(3R,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
N-{[rel-(3R,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | SB53-0203 |
| Compound Name: | N-{[rel-(3R,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}benzamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@H](CNC(c3ccccc3)=O)[C@H](C2)c2nnc(C)o2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2835 |
| logD: | 0.2833 |
| logSw: | -2.2083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.734 |
| InChI Key: | FIHMXRJHIAKAIW-PMACEKPBSA-N |