2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | J084-0705 |
| Compound Name: | 2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC(C)NC(CSc1nnc2c3ccccc3nc(c3cccc(C)c3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9891 |
| logD: | 3.9762 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.027 |
| InChI Key: | OSKGHJFHUUAQHJ-UHFFFAOYSA-N |