dimethyl 5-[(8-benzyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(8-benzyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(8-benzyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E616-0114 |
| Compound Name: | dimethyl 5-[(8-benzyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C27 H28 N2 O7 |
| Smiles: | CC1=C(C(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)C2(CCN(CC2)Cc2ccccc2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9776 |
| logD: | 1.8749 |
| logSw: | -4.247 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.043 |
| InChI Key: | REQRLBRVPQBFAO-UHFFFAOYSA-N |