3-[(4-chloro-2-methoxy-5-methylanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(4-chloro-2-methoxy-5-methylanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(4-chloro-2-methoxy-5-methylanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0383 |
| Compound Name: | 3-[(4-chloro-2-methoxy-5-methylanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 492.97 |
| Molecular Formula: | C22 H18 Cl F N2 O4 S2 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3112 |
| logD: | 5.2834 |
| logSw: | -5.9201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.46 |
| InChI Key: | AEVGRQHHFZNZCB-UHFFFAOYSA-N |