ethyl [(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D461-0193 |
| Compound Name: | ethyl [(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5271 |
| logD: | 3.5248 |
| logSw: | -3.5782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.678 |
| InChI Key: | GOJMVKSCFJBRLE-NRFANRHFSA-N |