6-ethyl-6,11-dimethyl-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6-ethyl-6,11-dimethyl-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6-ethyl-6,11-dimethyl-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0151 |
| Compound Name: | 6-ethyl-6,11-dimethyl-9-[(2-methylpropyl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6914 |
| logD: | 4.6714 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.519 |
| InChI Key: | WSNVKDBJLNKCHS-NRFANRHFSA-N |