1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 2-{4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}hydrazine-1-carboximidothioate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 2-{4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}hydrazine-1-carboximidothioate
1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 2-{4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}hydrazine-1-carboximidothioate
Compound characteristics
| Compound ID: | 8007-6831 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl 2-{4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}hydrazine-1-carboximidothioate |
| Molecular Weight: | 504.44 |
| Molecular Formula: | C23 H23 Cl2 N5 O2 S |
| Smiles: | C\C(/C=C/c1ccc(cc1)N(C)C)=N/NC(=N)SC1CC(N(C1=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5924 |
| logD: | 4.5379 |
| logSw: | -4.8097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.018 |
| InChI Key: | LYEFLPDXMONOOS-HXUWFJFHSA-N |