7-chloro-N-methyl-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-methyl-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-methyl-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
Compound ID: | C918-0127 |
Compound Name: | 7-chloro-N-methyl-5,5-dioxo-N-phenyl-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
Molecular Weight: | 403.9 |
Molecular Formula: | C19 H14 Cl N O3 S2 |
Smiles: | CN(C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.0502 |
logD: | 4.0502 |
logSw: | -4.437 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.801 |
InChI Key: | RXQZWQXXHUBAJQ-UHFFFAOYSA-N |