ethyl [(6-ethyl-6-methyl-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-ethyl-6-methyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(6-ethyl-6-methyl-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: | D461-0270 |
| Compound Name: | ethyl [(6-ethyl-6-methyl-7-oxo-11-propyl-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: | CCCN1C2=NC3=C(C(N2C(=N1)SCC(=O)OCC)=O)C(C)(CC)Cc1ccccc13 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3733 |
| logD: | 4.3724 |
| logSw: | -4.2389 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.977 |
| InChI Key: | COSBRQMMDHPKTL-QHCPKHFHSA-N |