6,6-dimethyl-9-(methylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-(methylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-9-(methylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0019 |
| Compound Name: | 6,6-dimethyl-9-(methylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C19 H22 N4 O S |
| Smiles: | CC(C)N1C2=NC3=C(C(N2C(=N1)SC)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.3003 |
| logD: | 4.2902 |
| logSw: | -4.4252 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.753 |
| InChI Key: | QKORZDTVCMGSIV-UHFFFAOYSA-N |