benzyl 7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Chemical Structure Depiction of
benzyl 7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
benzyl 7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-8342 |
| Compound Name: | benzyl 7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C21 H19 N3 O4 |
| Smiles: | Cc1cccc(c1)N1C(CC2(CC(C(=O)OCc3ccccc3)=NN2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.51 |
| logD: | 1.9871 |
| logSw: | -2.7477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.124 |
| InChI Key: | KNTBWCDDRXHWDC-NRFANRHFSA-N |