N-{4-[4-(1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazine-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-(1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazine-1-sulfonyl]phenyl}acetamide
N-{4-[4-(1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazine-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8016-0436 |
| Compound Name: | N-{4-[4-(1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazine-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C23 H28 N6 O6 S |
| Smiles: | CCN1C(N(CC)c2cc(c(cc12)[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7461 |
| logD: | 2.7458 |
| logSw: | -3.4361 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.854 |
| InChI Key: | TYPXUSDBYQWFGW-UHFFFAOYSA-N |