ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-1-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-1-yl)sulfanyl]acetate
ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-1-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 5218-3174 |
| Compound Name: | ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-1-yl)sulfanyl]acetate |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | CCOC(CSc1nnc2N(Cc3ccccc3)C(C3=C(c4ccccc4CC34CCCC4)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2244 |
| logD: | 5.2244 |
| logSw: | -4.9515 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.183 |
| InChI Key: | MQZFLZPMFZPKAW-UHFFFAOYSA-N |