N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | D332-0076 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | CC1c2ccccc2C(N(CC(Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2152 |
| logD: | 2.9455 |
| logSw: | -3.4471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.839 |
| InChI Key: | FQNVCGJETZRJJR-UHFFFAOYSA-N |