2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D461-0453 |
| Compound Name: | 2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1242 |
| logD: | 4.1219 |
| logSw: | -4.1916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.397 |
| InChI Key: | WDPLGJDVXTXJFE-VWLOTQADSA-N |