7-chloro-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0214 |
| Compound Name: | 7-chloro-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 464.02 |
| Molecular Formula: | C21 H18 Cl N O3 S3 |
| Smiles: | CSc1ccc(CCNC(c2cc3CS(c4cc(ccc4c3s2)[Cl])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7781 |
| logD: | 4.7781 |
| logSw: | -4.7351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.686 |
| InChI Key: | SDDFUEIIRMSHJX-UHFFFAOYSA-N |