2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(7-methyl-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-methyl-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-methyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-8077 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(7-methyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C21 H21 Cl N6 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ncc2C(CC(C)Cc2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8534 |
| logD: | 3.7468 |
| logSw: | -4.357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.011 |
| InChI Key: | YUAHYGACRWIOOI-GFCCVEGCSA-N |