2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V014-1400 |
| Compound Name: | 2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C19 H23 F N4 O S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc(cc2)F)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6635 |
| logD: | 3.6635 |
| logSw: | -3.771 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.612 |
| InChI Key: | WBPAZSNRTSCDAP-UHFFFAOYSA-N |