2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-propylacetamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-propylacetamide
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-propylacetamide
Compound characteristics
| Compound ID: | J084-0765 |
| Compound Name: | 2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-propylacetamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CCCNC(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0319 |
| logD: | 4.0026 |
| logSw: | -3.9285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.895 |
| InChI Key: | MYTKAAAQGMYUML-UHFFFAOYSA-N |