ethyl [(4-benzyl-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-benzyl-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-benzyl-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: | 4222-0260 |
| Compound Name: | ethyl [(4-benzyl-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(Cc3ccccc3)C(C3=C(c4ccccc4CC34CCCCC4)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6631 |
| logD: | 5.6631 |
| logSw: | -5.2015 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.817 |
| InChI Key: | BQELRJDHOTXBDY-UHFFFAOYSA-N |