2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide
Chemical Structure Depiction of
2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide
2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C445-0112 |
| Compound Name: | 2-[(8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(3-methoxyphenyl)butanamide |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C28 H27 N5 O4 S |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)Sc1nc2cc(c(cc2c2nc(c3ccccc3)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7351 |
| logD: | 5.7258 |
| logSw: | -5.5994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.964 |
| InChI Key: | KESARNHFGMKBSQ-DEOSSOPVSA-N |