3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-thiazolidin-4-one
3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 4872-0314 |
| Compound Name: | 3-(4-methylphenyl)-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-thiazolidin-4-one |
| Molecular Weight: | 379.65 |
| Molecular Formula: | C13 H9 Cl3 N2 O3 S |
| Smiles: | Cc1ccc(cc1)N1/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)SCC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4195 |
| logD: | 4.4195 |
| logSw: | -4.5423 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.656 |
| InChI Key: | HYLFWCNHNCDAPV-UHFFFAOYSA-N |