N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-methylacetamide
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-methylacetamide
Compound characteristics
| Compound ID: | C445-0176 |
| Compound Name: | N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-methylacetamide |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C26 H28 N6 O5 S |
| Smiles: | CN(C1CCCCC1)C(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8547 |
| logD: | 4.8077 |
| logSw: | -4.7876 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.386 |
| InChI Key: | NXCUJRKWRIKXPT-UHFFFAOYSA-N |