2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxyphenyl)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-methoxyphenyl)acetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C445-0145 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 546.56 |
| Molecular Formula: | C26 H22 N6 O6 S |
| Smiles: | COc1cccc(c1)NC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8166 |
| logD: | 4.8103 |
| logSw: | -4.773 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.132 |
| InChI Key: | SUEFPZQVNNQMGJ-UHFFFAOYSA-N |