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-(2-phenylethyl)acetamide
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-(2-phenylethyl)acetamide
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-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | D461-0196 |
| 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-(2-phenylethyl)acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.772 |
| logD: | 3.7697 |
| logSw: | -3.8886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.561 |
| InChI Key: | TZIBNBGOKUGYFA-MHZLTWQESA-N |