N-[(3S,5S)-1-[(3,5-dimethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(3,5-dimethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[(3,5-dimethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0178 |
| Compound Name: | N-[(3S,5S)-1-[(3,5-dimethoxyphenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3404 |
| logD: | 2.3398 |
| logSw: | -2.554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.843 |
| InChI Key: | SKBWWCQKLWRJPJ-APWZRJJASA-N |