ethyl {[3-(2,2-dimethyloxan-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(2,2-dimethyloxan-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
ethyl {[3-(2,2-dimethyloxan-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 5731-0195 |
| Compound Name: | ethyl {[3-(2,2-dimethyloxan-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C27 H34 N2 O4 S |
| Smiles: | CCOC(CSC1=NC2=C(C(N1C1CCOC(C)(C)C1)=O)C1(CCCC1)Cc1ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7405 |
| logD: | 4.7405 |
| logSw: | -4.5152 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.766 |
| InChI Key: | UBIKTFFWPBSAOM-IBGZPJMESA-N |