6,6-dimethyl-11-(2-methylpropyl)-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
6,6-dimethyl-11-(2-methylpropyl)-9-[(prop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-11-(2-methylpropyl)-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: | D461-0551 |
| Compound Name: | 6,6-dimethyl-11-(2-methylpropyl)-9-[(prop-2-en-1-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CC(C)CN1C2=NC3=C(C(N2C(=N1)SCC=C)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.2809 |
| logD: | 5.28 |
| logSw: | -5.2139 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | CPCJKBSLHRMNRD-UHFFFAOYSA-N |