2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-5-methyl-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-5-methyl-2,3-dihydro-1H-benzimidazole
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-5-methyl-2,3-dihydro-1H-benzimidazole
Compound characteristics
| Compound ID: | 4872-0581 |
| Compound Name: | 2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-5-methyl-2,3-dihydro-1H-benzimidazole |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C17 H13 Cl2 N3 O2 S |
| Smiles: | Cc1ccc2c(c1)NC(=C(\C(=C([Cl])[Cl])Sc1ccccc1)[N+]([O-])=O)\N2 |
| Stereo: | ACHIRAL |
| logP: | 5.5037 |
| logD: | 5.5036 |
| logSw: | -5.9587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.844 |
| InChI Key: | IJFJZNADRVSBLP-UHFFFAOYSA-N |