N-{[(4,6-dimethylpyrimidin-2-yl)amino][4-(2-phenylethoxy)anilino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Chemical Structure Depiction of
N-{[(4,6-dimethylpyrimidin-2-yl)amino][4-(2-phenylethoxy)anilino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
N-{[(4,6-dimethylpyrimidin-2-yl)amino][4-(2-phenylethoxy)anilino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | 3772-1641 |
| Compound Name: | N-{[(4,6-dimethylpyrimidin-2-yl)amino][4-(2-phenylethoxy)anilino]methylidene}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide |
| Molecular Weight: | 548.6 |
| Molecular Formula: | C31 H28 N6 O4 |
| Smiles: | Cc1cc(C)nc(NC(\Nc2ccc(cc2)OCCc2ccccc2)=N/C(CN2C(c3ccccc3C2=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4777 |
| logD: | 4.4547 |
| logSw: | -4.4248 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.305 |
| InChI Key: | BVSCWABYXXHWEQ-UHFFFAOYSA-N |