2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1H-benzimidazole
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1H-benzimidazole
Compound characteristics
| Compound ID: | 4872-0316 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1H-benzimidazole |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C17 H13 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(cc1)SC(C(=C1Nc2ccccc2N1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8309 |
| logD: | 5.8307 |
| logSw: | -6.1013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.844 |
| InChI Key: | RUNULELDCXVNMW-UHFFFAOYSA-N |