2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C445-0150 |
| Compound Name: | 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C26 H24 N6 O6 S |
| Smiles: | CCC(C(NCc1ccco1)=O)Sc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9673 |
| logD: | 4.958 |
| logSw: | -4.8042 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.873 |
| InChI Key: | RLCLQBKHSMPPFX-QFIPXVFZSA-N |