11-(2-methylprop-2-en-1-yl)-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
Chemical Structure Depiction of
11-(2-methylprop-2-en-1-yl)-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
11-(2-methylprop-2-en-1-yl)-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
Compound characteristics
| Compound ID: | D325-0438 |
| Compound Name: | 11-(2-methylprop-2-en-1-yl)-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one |
| Molecular Weight: | 432.59 |
| Molecular Formula: | C25 H28 N4 O S |
| Smiles: | CC(=C)CN1C2=NC3=C(C(N2C(=N1)SCC(C)=C)=O)C1(CCCC1)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.6478 |
| logD: | 5.6477 |
| logSw: | -5.394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.127 |
| InChI Key: | FWJWDMASYPTBJP-UHFFFAOYSA-N |