5-amino-4-(1H-benzimidazol-2-yl)-1-(4-chloro-3-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-chloro-3-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
5-amino-4-(1H-benzimidazol-2-yl)-1-(4-chloro-3-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | D086-0350 |
| Compound Name: | 5-amino-4-(1H-benzimidazol-2-yl)-1-(4-chloro-3-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one--hydrogen chloride (1/2) |
| Molecular Weight: | 442.69 |
| Molecular Formula: | C17 H12 Cl N5 O3 |
| Salt: | 2HCl |
| Smiles: | C1C(C(=C(N)N1c1ccc(c(c1)[N+]([O-])=O)[Cl])c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6838 |
| logD: | 2.6837 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.071 |
| InChI Key: | WVOJGTPUWYJKJH-UHFFFAOYSA-N |