N-[rel-(3R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-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-[(2,4-dimethoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[rel-(3R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB33-0029 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(cc3OC)OC)C[C@H]2NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0815 |
| logD: | -0.4333 |
| logSw: | -2.5361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.213 |
| InChI Key: | KLAIHVVFOUBXAP-OALUTQOASA-N |