N-[(3S,5S)-1-(2,3-dimethoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2,3-dimethoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(2,3-dimethoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1283 |
| Compound Name: | N-[(3S,5S)-1-(2,3-dimethoxybenzoyl)-5-(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]2C[C@@H](CN2C(c2cccc(c2OC)OC)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9856 |
| logD: | 0.9849 |
| logSw: | -2.0044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.673 |
| InChI Key: | LKXFFKDXEDZUQG-WBVHZDCISA-N |