N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide
Compound characteristics
Compound ID: | D305-1516 |
Compound Name: | N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-5-yl}-3-nitrobenzamide |
Molecular Weight: | 449.55 |
Molecular Formula: | C25 H31 N5 O3 |
Smiles: | CCCCn1c2ccc(cc2nc1CN1CCC(C)CC1)NC(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1557 |
logD: | 4.6657 |
logSw: | -4.9684 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.599 |
InChI Key: | XBMVTAWCNIVEOM-UHFFFAOYSA-N |