N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-nitrobenzamide
Compound characteristics
Compound ID: | D305-1628 |
Compound Name: | N-{2-[(morpholin-4-yl)methyl]-1-propyl-1H-benzimidazol-5-yl}-2-nitrobenzamide |
Molecular Weight: | 423.47 |
Molecular Formula: | C22 H25 N5 O4 |
Smiles: | CCCn1c2ccc(cc2nc1CN1CCOCC1)NC(c1ccccc1[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9829 |
logD: | 2.9476 |
logSw: | -3.6355 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.206 |
InChI Key: | HKJMUGQTELIEAO-UHFFFAOYSA-N |