ethyl 4-{[5-(3-nitrobenzamido)-1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[5-(3-nitrobenzamido)-1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[5-(3-nitrobenzamido)-1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D305-2956 |
| Compound Name: | ethyl 4-{[5-(3-nitrobenzamido)-1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C25 H30 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2cc(ccc2n1C(C)C)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6669 |
| logD: | 3.6643 |
| logSw: | -3.8158 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.476 |
| InChI Key: | YFEMQHOHVANNDO-UHFFFAOYSA-N |