2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-phenylacetamide
2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D461-0118 |
| Compound Name: | 2-[9-(ethylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]-N-phenylacetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | CCSC1=NN(CC(Nc2ccccc2)=O)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.6745 |
| logD: | 4.6714 |
| logSw: | -4.416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.718 |
| InChI Key: | WKQYFIHKJDUAFS-UHFFFAOYSA-N |