2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V002-9201 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7222 |
| logD: | 4.7221 |
| logSw: | -4.4322 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.348 |
| InChI Key: | HUTIUCRPEDTAOL-UHFFFAOYSA-N |