7-chloro-5,5-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-5,5-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-5,5-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
Compound ID: | C918-0113 |
Compound Name: | 7-chloro-5,5-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
Molecular Weight: | 413.94 |
Molecular Formula: | C18 H20 Cl N O4 S2 |
Smiles: | CC(C)OCCCNC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2916 |
logD: | 3.2916 |
logSw: | -3.6762 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.159 |
InChI Key: | NCPBCADXEIPZGS-UHFFFAOYSA-N |