N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0042 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCOCC2)=O)C(CCCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6391 |
| logD: | 1.6385 |
| logSw: | -2.4575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.427 |
| InChI Key: | HJLASCWCUMYAJK-PMACEKPBSA-N |