N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | D332-0112 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C28 H34 N6 O2 |
| Smiles: | CCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(CN1C(c2ccccc2C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3123 |
| logD: | 3.7443 |
| logSw: | -4.0771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.008 |
| InChI Key: | QDMSSSBMRLYDOH-UHFFFAOYSA-N |