2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl adamantane-1-carboxylate
2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 4482-3120 |
| Compound Name: | 2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 551.44 |
| Molecular Formula: | C28 H27 Br N2 O5 |
| Smiles: | COc1cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)cc(c1OC(C12CC3CC(CC(C3)C2)C1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7226 |
| logD: | 5.6598 |
| logSw: | -5.6137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.975 |
| InChI Key: | MHBARUJOUMETIP-UHFFFAOYSA-N |