2-methyl-N-{4-[5-(2-methylprop-2-enamido)-1H-benzimidazol-2-yl]phenyl}prop-2-enamide
Chemical Structure Depiction of
2-methyl-N-{4-[5-(2-methylprop-2-enamido)-1H-benzimidazol-2-yl]phenyl}prop-2-enamide
2-methyl-N-{4-[5-(2-methylprop-2-enamido)-1H-benzimidazol-2-yl]phenyl}prop-2-enamide
Compound characteristics
Compound ID: | 1037-1157 |
Compound Name: | 2-methyl-N-{4-[5-(2-methylprop-2-enamido)-1H-benzimidazol-2-yl]phenyl}prop-2-enamide |
Molecular Weight: | 360.41 |
Molecular Formula: | C21 H20 N4 O2 |
Smiles: | CC(=C)C(Nc1ccc(cc1)c1nc2cc(ccc2[nH]1)NC(C(C)=C)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4127 |
logD: | 4.4119 |
logSw: | -4.3027 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 65.983 |
InChI Key: | YXZYUJWBKISZEK-UHFFFAOYSA-N |