ethyl {[4-(4-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
ethyl {[4-(4-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4222-0261 |
| Compound Name: | ethyl {[4-(4-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C29 H30 N4 O3 S |
| Smiles: | CCOC(CSc1nnc2N(C(C3=C(c4ccccc4CC34CCCCC4)n12)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6046 |
| logD: | 5.6046 |
| logSw: | -5.1898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.206 |
| InChI Key: | GCXFYBQNGRKUMP-UHFFFAOYSA-N |