N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0996 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C22 H29 N5 O5 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCOCC2)=O)C(COc2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 0.2336 |
| logD: | 0.233 |
| logSw: | -1.9573 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.47 |
| InChI Key: | NSJHHACYEWSQTH-OALUTQOASA-N |