2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-6-yl}acetamide
Chemical Structure Depiction of
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-6-yl}acetamide
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-6-yl}acetamide
Compound characteristics
| Compound ID: | D044-0105 |
| Compound Name: | 2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-benzimidazol-6-yl}acetamide |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | CC1c2ccccc2C(N(CC(Nc2ccc3c(c2)n(C)c(CN2CCCCC2)n3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8615 |
| logD: | 2.6218 |
| logSw: | -3.3059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.508 |
| InChI Key: | NLGAUSLXNPQTFL-UHFFFAOYSA-N |