7-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0147 |
| Compound Name: | 7-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C21 H18 Cl N O5 S2 |
| Smiles: | COc1ccc(c(CNC(c2cc3CS(c4cc(ccc4c3s2)[Cl])(=O)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3254 |
| logD: | 4.3254 |
| logSw: | -4.618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.019 |
| InChI Key: | BQGNMIWIFLYUJE-UHFFFAOYSA-N |