methyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
methyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0399 |
| Compound Name: | methyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C19 H16 N4 O3 |
| Smiles: | COC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5164 |
| logD: | 2.5164 |
| logSw: | -2.7848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.164 |
| InChI Key: | RPEBSDUWYONRDM-UHFFFAOYSA-N |