6,6-dimethyl-11-[(4-methylphenyl)methyl]-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-11-[(4-methylphenyl)methyl]-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-11-[(4-methylphenyl)methyl]-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0076 |
| Compound Name: | 6,6-dimethyl-11-[(4-methylphenyl)methyl]-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C24 H24 N4 O S |
| Smiles: | Cc1ccc(CN2C3=NC4=C(C(N3C(=N2)SC)=O)C(C)(C)Cc2ccccc24)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1982 |
| logD: | 5.1814 |
| logSw: | -5.0677 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.569 |
| InChI Key: | ZDNVWRFKDSSIJI-UHFFFAOYSA-N |