1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0545 |
| Compound Name: | 1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(Cc2cccs2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3611 |
| logD: | 3.3597 |
| logSw: | -3.5065 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.51 |
| InChI Key: | HDXKKSNQDZPVFJ-MJGOQNOKSA-N |