N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide
N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide
Compound characteristics
| Compound ID: | C445-0165 |
| Compound Name: | N-benzyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-ethylacetamide |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C28 H26 N6 O5 S |
| Smiles: | CCN(Cc1ccccc1)C(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9839 |
| logD: | 4.9369 |
| logSw: | -4.832 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.119 |
| InChI Key: | FVTWLANCCRFBPW-UHFFFAOYSA-N |