N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1517 |
| Compound Name: | N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-2-nitrobenzamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCC(C)CC1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8986 |
| logD: | 4.4085 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.298 |
| InChI Key: | JZJDIYJRXDNDIU-UHFFFAOYSA-N |