N-(4-chlorophenyl)-N~3~-(2-phenyl-1H-benzimidazole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-N~3~-(2-phenyl-1H-benzimidazole-5-sulfonyl)-beta-alaninamide
N-(4-chlorophenyl)-N~3~-(2-phenyl-1H-benzimidazole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E511-3009 |
| Compound Name: | N-(4-chlorophenyl)-N~3~-(2-phenyl-1H-benzimidazole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | C(CNS(c1ccc2c(c1)nc(c1ccccc1)[nH]2)(=O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4135 |
| logD: | 4.4051 |
| logSw: | -4.7182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.007 |
| InChI Key: | PAVALXGRYFLTLQ-UHFFFAOYSA-N |