N-[(4-methylphenyl)methyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0213 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C25 H20 N6 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2nc3ccccc3c3nc(c4cccc(c4)[N+]([O-])=O)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.185 |
| logD: | 5.1845 |
| logSw: | -5.2671 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.65 |
| InChI Key: | NRQWZSYSBHEZEE-UHFFFAOYSA-N |