2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-5-methyl-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-5-methyl-2,3-dihydro-1H-benzimidazole
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-5-methyl-2,3-dihydro-1H-benzimidazole
Compound characteristics
| Compound ID: | 4872-0572 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-5-methyl-2,3-dihydro-1H-benzimidazole |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C18 H15 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(cc1)SC(\C(=C1/Nc2ccc(C)cc2N1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1122 |
| logD: | 6.112 |
| logSw: | -6.1738 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.844 |
| InChI Key: | XFWRGFLXRYTXBY-UHFFFAOYSA-N |