benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Chemical Structure Depiction of
benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Compound characteristics
| Compound ID: | 6996-1482 |
| Compound Name: | benzyl 7-(3-methoxyphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C21 H19 N3 O5 |
| Smiles: | COc1cccc(c1)N1C(CC2(CC(C(=O)OCc3ccccc3)=NN2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1755 |
| logD: | 1.6526 |
| logSw: | -2.7486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.668 |
| InChI Key: | DOBAPXVPNAPHTP-NRFANRHFSA-N |