N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Chemical Structure Depiction of
N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8137-0201 |
| Compound Name: | N-([(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-indol-3-yl)ethyl]amino}methylidene)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C27 H25 N7 O3 |
| Smiles: | Cc1cc(C)nc(NC(/NCCc2c[nH]c3ccccc23)=N/C(CN2C(c3ccccc3C2=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4949 |
| logD: | 2.4445 |
| logSw: | -3.0571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.193 |
| InChI Key: | UOPJUZUBSWMGHA-UHFFFAOYSA-N |