6-ethyl-6-methyl-9-(methylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6-ethyl-6-methyl-9-(methylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6-ethyl-6-methyl-9-(methylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0048 |
| Compound Name: | 6-ethyl-6-methyl-9-(methylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9784 |
| logD: | 3.9758 |
| logSw: | -4.124 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | KSKNRCJLLMEWGX-FQEVSTJZSA-N |