ethyl [9-(benzylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Chemical Structure Depiction of
ethyl [9-(benzylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
ethyl [9-(benzylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate
Compound characteristics
| Compound ID: | D461-0817 |
| Compound Name: | ethyl [9-(benzylsulfanyl)-6,6-dimethyl-7-oxo-5,7-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-11(6H)-yl]acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CCOC(CN1C2=NC3=C(C(N2C(=N1)SCc1ccccc1)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6062 |
| logD: | 4.6037 |
| logSw: | -4.5447 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.727 |
| InChI Key: | YUGKPZHPVNTWNM-UHFFFAOYSA-N |