2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole
Compound characteristics
| Compound ID: | 4872-0325 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole |
| Molecular Weight: | 395.26 |
| Molecular Formula: | C17 H12 Cl2 N2 O3 S |
| Smiles: | Cc1ccc(cc1)SC(/C(=C1/Nc2ccccc2O1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8501 |
| logD: | 5.8441 |
| logSw: | -6.1044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.545 |
| InChI Key: | CUAPFOFDRKYWSY-UHFFFAOYSA-N |