N-(2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-4-nitrobenzamide
N-(2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | D305-0999 |
| Compound Name: | N-(2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-methyl-1H-benzimidazol-5-yl)-4-nitrobenzamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C21 H24 N6 O5 S |
| Smiles: | Cn1c2ccc(cc2nc1CN1CCN(CC1)S(C)(=O)=O)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5959 |
| logD: | 1.5781 |
| logSw: | -2.7125 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.713 |
| InChI Key: | PKQLZPDTAODZIM-UHFFFAOYSA-N |