2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C445-0140 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | CCN(CC)C(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8936 |
| logD: | 3.8466 |
| logSw: | -3.979 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.116 |
| InChI Key: | BBGNMWKVWQJMAL-UHFFFAOYSA-N |