ethyl {[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
ethyl {[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2752-0208 |
| Compound Name: | ethyl {[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(C)cc1)=O)C1(CCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.41 |
| logD: | 5.3931 |
| logSw: | -5.2689 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.734 |
| InChI Key: | WXZQJVQCCRZEMA-UHFFFAOYSA-N |