1-[(3-fluorophenyl)methyl]-3-{[2-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-3-{[2-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
1-[(3-fluorophenyl)methyl]-3-{[2-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0429 |
| Compound Name: | 1-[(3-fluorophenyl)methyl]-3-{[2-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 482.47 |
| Molecular Formula: | C21 H14 F4 N2 O3 S2 |
| Smiles: | C(c1cccc(c1)F)N1c2ccsc2C(/C(=C/Nc2ccccc2C(F)(F)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8547 |
| logD: | 4.8546 |
| logSw: | -4.8555 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.83 |
| InChI Key: | NBCHCHQOZKRXBE-UHFFFAOYSA-N |