6,6,11-trimethyl-9-{[(4-methylphenyl)methyl]sulfanyl}-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6,11-trimethyl-9-{[(4-methylphenyl)methyl]sulfanyl}-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6,11-trimethyl-9-{[(4-methylphenyl)methyl]sulfanyl}-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0180 |
| Compound Name: | 6,6,11-trimethyl-9-{[(4-methylphenyl)methyl]sulfanyl}-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(CSC2=NN(C)C3=NC4=C(C(N23)=O)C(C)(C)Cc2ccccc24)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.873 |
| logD: | 4.8687 |
| logSw: | -4.6938 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.248 |
| InChI Key: | BRNDZYZLHIMRNQ-UHFFFAOYSA-N |