6,6-diethyl-9-(ethylsulfanyl)-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-diethyl-9-(ethylsulfanyl)-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-diethyl-9-(ethylsulfanyl)-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0057 |
| Compound Name: | 6,6-diethyl-9-(ethylsulfanyl)-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC(C)=C)N=C1SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4714 |
| logD: | 5.4699 |
| logSw: | -5.4455 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | PXMLLRMZHMTOBF-UHFFFAOYSA-N |