pentyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
pentyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
pentyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
Compound ID: | D086-0523 |
Compound Name: | pentyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
Molecular Weight: | 418.49 |
Molecular Formula: | C24 H26 N4 O3 |
Smiles: | CCCCCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2n1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7476 |
logD: | 4.7476 |
logSw: | -4.8054 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.757 |
InChI Key: | PTGHMRVQXHNRCL-UHFFFAOYSA-N |