1-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethanesulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
1-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethanesulfonyl)-1H-benzimidazole
1-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethanesulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | 8015-7363 |
| Compound Name: | 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(phenylmethanesulfonyl)-1H-benzimidazole |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | COc1ccc(Cn2c3ccccc3nc2S(Cc2ccccc2)(=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8074 |
| logD: | 3.8074 |
| logSw: | -4.0493 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.596 |
| InChI Key: | NHDBCPUTIJYPOS-UHFFFAOYSA-N |