3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 3966-0428 |
| Compound Name: | 3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C26 H26 N2 O S |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC=C |
| Stereo: | ACHIRAL |
| logP: | 6.0427 |
| logD: | 6.0337 |
| logSw: | -5.4423 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2742 |
| InChI Key: | QNSYRLHJSQYAFI-UHFFFAOYSA-N |