benzyl 7-(3,4-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Chemical Structure Depiction of
benzyl 7-(3,4-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
benzyl 7-(3,4-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Compound characteristics
| Compound ID: | 6996-1486 |
| Compound Name: | benzyl 7-(3,4-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(CC2(CC(C(=O)OCc3ccccc3)=NN2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1441 |
| logD: | 2.6212 |
| logSw: | -3.2683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.124 |
| InChI Key: | CSWXTPXRSUSIIJ-QFIPXVFZSA-N |