11-ethyl-6,6-dimethyl-9-[(prop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
11-ethyl-6,6-dimethyl-9-[(prop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
11-ethyl-6,6-dimethyl-9-[(prop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0466 |
| Compound Name: | 11-ethyl-6,6-dimethyl-9-[(prop-2-en-1-yl)sulfanyl]-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: | CCN1C2=NC3=C(C(N2C(=N1)SCC=C)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.3714 |
| logD: | 4.3682 |
| logSw: | -4.4461 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.565 |
| InChI Key: | XTMHKNAPMRGDGI-UHFFFAOYSA-N |