ethyl [(6,6-dimethyl-7-oxo-11-propyl-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-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D461-0269 |
| Compound Name: | ethyl [(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CCCN1C2=NC3=C(C(N2C(=N1)SCC(=O)OCC)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.1824 |
| logD: | 4.1807 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.977 |
| InChI Key: | VCMBRVZNEFUVTH-UHFFFAOYSA-N |