5-({4-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]anilino}methylidene)-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-({4-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]anilino}methylidene)-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
5-({4-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]anilino}methylidene)-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | Y500-0728 |
| Compound Name: | 5-({4-chloro-3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]anilino}methylidene)-1-(3-chlorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 535.34 |
| Molecular Formula: | C26 H16 Cl2 N4 O5 |
| Smiles: | C(c1cc(ccc1[Cl])N/C=C1/C(NC(N(C1=O)c1cccc(c1)[Cl])=O)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7944 |
| logD: | 2.7926 |
| logSw: | -4.3353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.244 |
| InChI Key: | VELYBJMVDULBAO-UHFFFAOYSA-N |