N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-2-nitrobenzamide
N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0920 |
| Compound Name: | N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-2-nitrobenzamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C25 H24 N6 O5 |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCN(CC1)C(c1ccco1)=O)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1893 |
| logD: | 2.1099 |
| logSw: | -3.1778 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.164 |
| InChI Key: | BDCMMSZQCXXVHK-UHFFFAOYSA-N |