N-(butan-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0847 |
| Compound Name: | N-(butan-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | CCC(C)NC(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4308 |
| logD: | 4.4016 |
| logSw: | -4.1968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.495 |
| InChI Key: | VAWNIFKVHWQOGJ-HNNXBMFYSA-N |