6-ethyl-6,11-dimethyl-9-[(2-methylprop-2-en-1-yl)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-methylprop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6-ethyl-6,11-dimethyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
Compound ID: | D461-0169 |
Compound Name: | 6-ethyl-6,11-dimethyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
Molecular Weight: | 380.51 |
Molecular Formula: | C21 H24 N4 O S |
Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(C)=C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.594 |
logD: | 4.5917 |
logSw: | -4.5273 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.519 |
InChI Key: | IIGYNNDUPSVZNL-NRFANRHFSA-N |