4-{[(adamantan-1-yl)methyl][1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[(adamantan-1-yl)methyl][1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
4-{[(adamantan-1-yl)methyl][1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8012-7073 |
| Compound Name: | 4-{[(adamantan-1-yl)methyl][1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 470.95 |
| Molecular Formula: | C25 H27 Cl N2 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CN(C1CC(N(C1=O)c1cccc(c1)[Cl])=O)C(/C=C/C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6043 |
| logD: | -0.24 |
| logSw: | -3.6062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.048 |
| InChI Key: | XYQVVBNCEUNHOJ-XVPJOVGPSA-N |