N-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0518 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C22 H21 N O5 S2 |
| Smiles: | COc1ccc(c(CCNC(c2cc3CS(c4ccccc4c3s2)(=O)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7605 |
| logD: | 3.7605 |
| logSw: | -4.0386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.861 |
| InChI Key: | OSWWZOBMCWGSGG-UHFFFAOYSA-N |