ethyl 4-[(5-nitro-1-propyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(5-nitro-1-propyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(5-nitro-1-propyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D305-2910 |
| Compound Name: | ethyl 4-[(5-nitro-1-propyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C18 H25 N5 O4 |
| Smiles: | CCCn1c2ccc(cc2nc1CN1CCN(CC1)C(=O)OCC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9165 |
| logD: | 2.9089 |
| logSw: | -3.2031 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.287 |
| InChI Key: | JQCNTKXHACHBHW-UHFFFAOYSA-N |