11-(prop-2-en-1-yl)-9-[(prop-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-(prop-2-en-1-yl)-9-[(prop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
11-(prop-2-en-1-yl)-9-[(prop-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: | D325-0437 |
| Compound Name: | 11-(prop-2-en-1-yl)-9-[(prop-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: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | C=CCN1C2=NC3=C(C(N2C(=N1)SCC=C)=O)C1(CCCC1)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.6044 |
| logD: | 4.6044 |
| logSw: | -4.6805 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.105 |
| InChI Key: | XRASNGFIUGGCHY-UHFFFAOYSA-N |