3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate
3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 0717-0942 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)propyl 4-nitrobenzoate |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | C(Cc1nc2ccccc2[nH]1)COC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0548 |
| logD: | 4.0517 |
| logSw: | -4.3855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.678 |
| InChI Key: | NZRYFSHUOXNTAL-UHFFFAOYSA-N |