3-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzothiazol-2(3H)-one
3-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | C592-3131 |
| Compound Name: | 3-{[5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C25 H27 N5 O2 S2 |
| Smiles: | C1CCN(CC1)C(CSc1nnc(CN2C(=O)Sc3ccccc23)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8426 |
| logD: | 3.8426 |
| logSw: | -3.9184 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.161 |
| InChI Key: | SQWQZQCULFDGOH-UHFFFAOYSA-N |