ethyl {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
ethyl {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4164-0125 |
| Compound Name: | ethyl {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(cc1)OC)=O)C1(CCCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4077 |
| logD: | 5.3681 |
| logSw: | -5.1675 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.912 |
| InChI Key: | IZFSXBJVLJJFRQ-UHFFFAOYSA-N |