7-chloro-N-(2-cyanoethyl)-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2-cyanoethyl)-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-(2-cyanoethyl)-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0161 |
| Compound Name: | 7-chloro-N-(2-cyanoethyl)-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C21 H15 Cl N2 O3 S2 |
| Smiles: | C(CN(C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)c1ccccc1)C#N |
| Stereo: | ACHIRAL |
| logP: | 4.0995 |
| logD: | 4.0995 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.524 |
| InChI Key: | ORTVDRMPOLJUCC-UHFFFAOYSA-N |