N-(1-ethyl-2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1H-benzimidazol-5-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(1-ethyl-2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1H-benzimidazol-5-yl)-2-nitrobenzamide
N-(1-ethyl-2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1H-benzimidazol-5-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | D305-1031 |
| Compound Name: | N-(1-ethyl-2-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1H-benzimidazol-5-yl)-2-nitrobenzamide |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C22 H26 N6 O5 S |
| Smiles: | CCn1c2ccc(cc2nc1CN1CCN(CC1)S(C)(=O)=O)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9985 |
| logD: | 1.9656 |
| logSw: | -3.1205 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.327 |
| InChI Key: | AMCPAEYFTANRIG-UHFFFAOYSA-N |