5-amino-4-(1H-benzimidazol-2-yl)-1-(4-methoxy-2-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-methoxy-2-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-methoxy-2-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0341 |
| Compound Name: | 5-amino-4-(1H-benzimidazol-2-yl)-1-(4-methoxy-2-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 365.35 |
| Molecular Formula: | C18 H15 N5 O4 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.494 |
| logD: | 2.494 |
| logSw: | -2.9386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.314 |
| InChI Key: | YANGXFMONYSABQ-UHFFFAOYSA-N |