ethyl [(6,6,11-triethyl-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 [(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D461-0210 |
| Compound Name: | ethyl [(6,6,11-triethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC)N=C1SCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3096 |
| logD: | 4.3087 |
| logSw: | -4.3031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.724 |
| InChI Key: | RSBYIXJVHIOVAF-UHFFFAOYSA-N |