1-[(4-chlorophenyl)methyl]-3-[(2,5-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-[(2,5-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
1-[(4-chlorophenyl)methyl]-3-[(2,5-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0255 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-[(2,5-difluoroanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 466.91 |
| Molecular Formula: | C20 H13 Cl F2 N2 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccsc2C(/C(=C/Nc2cc(ccc2F)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9112 |
| logD: | 4.7864 |
| logSw: | -5.0746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.83 |
| InChI Key: | MSTMXWKOPLNTRT-UHFFFAOYSA-N |