N,N-diethyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N,N-diethyl-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0844 |
| Compound Name: | N,N-diethyl-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: | CCN(CC)C(CSc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.427 |
| logD: | 4.3978 |
| logSw: | -4.2458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.986 |
| InChI Key: | ORCTULCQQYUXSE-UHFFFAOYSA-N |