N-[(3S,5S)-1-(5-methylthiophene-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(5-methylthiophene-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-(5-methylthiophene-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0554 |
| Compound Name: | N-[(3S,5S)-1-(5-methylthiophene-2-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1ccc(C)s1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0345 |
| logD: | 3.0283 |
| logSw: | -3.2729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.529 |
| InChI Key: | ONWHIIXKQWNZNY-CVEARBPZSA-N |