ethyl {[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
ethyl {[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3379-1472 |
| Compound Name: | ethyl {[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate |
| Molecular Weight: | 539.49 |
| Molecular Formula: | C27 H27 Br N2 O3 S |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1cccc(c1)[Br])=O)C1(CCCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2189 |
| logD: | 6.2003 |
| logSw: | -5.3298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.368 |
| InChI Key: | VADDJWAGINDPIA-UHFFFAOYSA-N |