N-butyl-7-chloro-N-[(furan-2-yl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-butyl-7-chloro-N-[(furan-2-yl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-butyl-7-chloro-N-[(furan-2-yl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0209 |
| Compound Name: | N-butyl-7-chloro-N-[(furan-2-yl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 449.97 |
| Molecular Formula: | C21 H20 Cl N O4 S2 |
| Smiles: | CCCCN(Cc1ccco1)C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2516 |
| logD: | 5.2516 |
| logSw: | -5.6324 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.37 |
| InChI Key: | YDKPDBXNCWNBJN-UHFFFAOYSA-N |