ethyl {6,6-dimethyl-9-[(3-methylbutyl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Chemical Structure Depiction of
ethyl {6,6-dimethyl-9-[(3-methylbutyl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
ethyl {6,6-dimethyl-9-[(3-methylbutyl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate
Compound characteristics
| Compound ID: | D461-0808 |
| Compound Name: | ethyl {6,6-dimethyl-9-[(3-methylbutyl)sulfanyl]-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl}acetate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CCOC(CN1C2=NC3=C(C(N2C(=N1)SCCC(C)C)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9795 |
| logD: | 4.9576 |
| logSw: | -4.5696 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.999 |
| InChI Key: | RNCIMKXIQOSRDB-UHFFFAOYSA-N |