N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-3-nitrobenzamide
N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0919 |
| Compound Name: | N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-3-nitrobenzamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C25 H24 N6 O5 |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCN(CC1)C(c1ccco1)=O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4464 |
| logD: | 2.3963 |
| logSw: | -2.9955 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.465 |
| InChI Key: | KDKHYHLSCDREPU-UHFFFAOYSA-N |