N-[(3S,5S)-1-[3-(3-methoxyphenyl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(3-methoxyphenyl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[3-(3-methoxyphenyl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1331 |
| Compound Name: | N-[(3S,5S)-1-[3-(3-methoxyphenyl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CCc2cccc(c2)OC)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6823 |
| logD: | 1.6816 |
| logSw: | -1.9318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.341 |
| InChI Key: | MBLIFXQYXUMXCY-AZUAARDMSA-N |