N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | D332-0137 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-(propan-2-yl)-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C28 H34 N6 O2 |
| Smiles: | CC(C)n1c2ccc(cc2nc1CN1CCCCCC1)NC(CN1C(c2ccccc2C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1061 |
| logD: | 3.9643 |
| logSw: | -4.1137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.105 |
| InChI Key: | JFXHDXJFSSNCKR-UHFFFAOYSA-N |