ethyl {[6,6-dimethyl-11-(3-methylbutyl)-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-dimethyl-11-(3-methylbutyl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate
ethyl {[6,6-dimethyl-11-(3-methylbutyl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D461-0604 |
| Compound Name: | ethyl {[6,6-dimethyl-11-(3-methylbutyl)-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CCOC(CSC1=NN(CCC(C)C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 5.036 |
| logD: | 5.0357 |
| logSw: | -4.571 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.977 |
| InChI Key: | XFEAZWAJZJBHHQ-UHFFFAOYSA-N |