2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(7,7-dimethyl-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-(7,7-dimethyl-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-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-8080 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C22 H23 Cl N6 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ncc2C(CC(C)(C)Cc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.767 |
| logD: | 3.6604 |
| logSw: | -4.3171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.011 |
| InChI Key: | GTYKLRNDCNMEMV-UHFFFAOYSA-N |