6,6-dimethyl-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
6,6-dimethyl-9-(methylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-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: | D461-0046 |
| Compound Name: | 6,6-dimethyl-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: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7875 |
| logD: | 3.7826 |
| logSw: | -3.9165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | ZEXBYLBBEWKGKC-UHFFFAOYSA-N |