butyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
butyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
butyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0522 |
| Compound Name: | butyl 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | CCCCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1974 |
| logD: | 4.1974 |
| logSw: | -4.3688 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.757 |
| InChI Key: | IWTGQKGTZJVZSG-UHFFFAOYSA-N |