3-{2-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SB29-0180 |
| Compound Name: | 3-{2-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CN2C(=O)Oc3ccccc23)=O)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 0.807 |
| logD: | 0.8056 |
| logSw: | -1.8462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.908 |
| InChI Key: | VIOABKVLLXCTSH-YPMHNXCESA-N |