2,4-dichloro-N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
2,4-dichloro-N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamothioyl]benzamide
2,4-dichloro-N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 8010-7978 |
| Compound Name: | 2,4-dichloro-N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 398.33 |
| Molecular Formula: | C16 H13 Cl2 N3 O S2 |
| Smiles: | CCc1c(C#N)c(NC(NC(c2ccc(cc2[Cl])[Cl])=O)=S)sc1C |
| Stereo: | ACHIRAL |
| logP: | 5.3301 |
| logD: | 3.5854 |
| logSw: | -6.0929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.09 |
| InChI Key: | WTRWKHSRWGRCHZ-UHFFFAOYSA-N |