benzyl 7-(4-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Chemical Structure Depiction of
benzyl 7-(4-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
benzyl 7-(4-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Compound characteristics
Compound ID: | 8017-7091 |
Compound Name: | benzyl 7-(4-bromophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate |
Molecular Weight: | 442.27 |
Molecular Formula: | C20 H16 Br N3 O4 |
Smiles: | C1C(C(=O)OCc2ccccc2)=NNC12CC(N(C2=O)c1ccc(cc1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8455 |
logD: | 2.3226 |
logSw: | -3.1807 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.124 |
InChI Key: | SLRQMCICRXEZAA-FQEVSTJZSA-N |