2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-8076 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide |
| Molecular Weight: | 442.93 |
| Molecular Formula: | C20 H19 Cl N6 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ncc2C(CCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4557 |
| logD: | 3.3491 |
| logSw: | -4.0029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.011 |
| InChI Key: | IUKXSXUJASZUAB-UHFFFAOYSA-N |