2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
Compound characteristics
| Compound ID: | C445-0161 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C28 H26 N6 O5 S |
| Smiles: | CCC(C(Nc1cccc(C)c1)=O)Sc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0593 |
| logD: | 6.0501 |
| logSw: | -5.4715 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.802 |
| InChI Key: | DPXVDFYCXKETAX-DEOSSOPVSA-N |