3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 5473-0129 |
| Compound Name: | 3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 406.91 |
| Molecular Formula: | C18 H15 Cl N2 O3 S2 |
| Smiles: | COc1ccc(c(c1)NC(NC(c1c(c2ccccc2s1)[Cl])=O)=S)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9786 |
| logD: | 4.9751 |
| logSw: | -5.221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.463 |
| InChI Key: | HEETYSPKFHIKQV-UHFFFAOYSA-N |