2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C445-0158 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C26 H28 N6 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9283 |
| logD: | 4.8813 |
| logSw: | -4.8127 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.699 |
| InChI Key: | UGASDQCKPNHPTE-UHFFFAOYSA-N |