2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzothiazole
Chemical Structure Depiction of
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzothiazole
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4872-0329 |
| Compound Name: | 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}-2,3-dihydro-1,3-benzothiazole |
| Molecular Weight: | 411.33 |
| Molecular Formula: | C17 H12 Cl2 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)SC(/C(=C1/Nc2ccccc2S1)[N+]([O-])=O)=C([Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5187 |
| logD: | 6.5159 |
| logSw: | -6.4188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.47 |
| InChI Key: | UVYRKYFXEABXPP-UHFFFAOYSA-N |