methyl 3-(5-nitro-1H-benzimidazol-2-yl)propyl benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-(5-nitro-1H-benzimidazol-2-yl)propyl benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
methyl 3-(5-nitro-1H-benzimidazol-2-yl)propyl benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 1127-1195 |
| Compound Name: | methyl 3-(5-nitro-1H-benzimidazol-2-yl)propyl benzene-1,4-dicarboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C19 H17 N3 O6 |
| Salt: | HCl |
| Smiles: | COC(c1ccc(cc1)C(=O)OCCCc1nc2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2696 |
| logD: | 4.2558 |
| logSw: | -4.4683 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.852 |
| InChI Key: | TVQCDJPCZHZXLV-UHFFFAOYSA-N |