N-(3-methylbutyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(3-methylbutyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0767 |
| Compound Name: | N-(3-methylbutyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.55 |
| Molecular Formula: | C23 H25 N5 O S |
| Smiles: | CC(C)CCNC(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8326 |
| logD: | 4.8033 |
| logSw: | -4.5859 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.895 |
| InChI Key: | WDQBWMJLLFTELS-UHFFFAOYSA-N |