methyl 4-[({1-[(3-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[({1-[(3-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzoate
methyl 4-[({1-[(3-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzoate
Compound characteristics
| Compound ID: | E953-0463 |
| Compound Name: | methyl 4-[({1-[(3-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzoate |
| Molecular Weight: | 472.51 |
| Molecular Formula: | C22 H17 F N2 O5 S2 |
| Smiles: | COC(c1ccc(cc1)N/C=C1/C(c2c(ccs2)N(Cc2cccc(c2)F)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3237 |
| logD: | 4.3225 |
| logSw: | -4.3966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.702 |
| InChI Key: | YXKLWSFYZUJWSM-UHFFFAOYSA-N |