ethyl [(6,6,11-trimethyl-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-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(6,6,11-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D461-0192 |
| Compound Name: | ethyl [(6,6,11-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCOC(CSC1=NN(C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3362 |
| logD: | 3.3319 |
| logSw: | -3.5304 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.678 |
| InChI Key: | LWXSTONAXHCIEL-UHFFFAOYSA-N |