N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0216 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C25 H20 N6 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4493 |
| logD: | 5.4488 |
| logSw: | -5.6606 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.451 |
| InChI Key: | CWCCHLRNWYXNSD-UHFFFAOYSA-N |