N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0560 |
| Compound Name: | N-[(3S,5S)-1-(4-methoxy-2-methylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1ccc(cc1C)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9529 |
| logD: | 2.9467 |
| logSw: | -3.3906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.054 |
| InChI Key: | SODWWTUOZFKTJE-XLIONFOSSA-N |