N-butyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-butyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0843 |
| Compound Name: | N-butyl-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: | CCCCNC(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6186 |
| logD: | 4.5894 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.895 |
| InChI Key: | WGLDAJLOTVYENF-UHFFFAOYSA-N |