N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0119 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C20 H14 Cl N O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0384 |
| logD: | 4.0384 |
| logSw: | -4.4397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.96 |
| InChI Key: | HYANGETXHPGIBY-UHFFFAOYSA-N |