2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | C445-0152 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 512.54 |
| Molecular Formula: | C23 H24 N6 O6 S |
| Smiles: | COCCCNC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.965 |
| logD: | 2.9562 |
| logSw: | -3.4972 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.366 |
| InChI Key: | HDWDMFPXCHPSJP-UHFFFAOYSA-N |