3-({[(4-chlorophenyl)methyl]amino}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-chlorophenyl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-({[(4-chlorophenyl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0352 |
| Compound Name: | 3-({[(4-chlorophenyl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H16 Cl F N2 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.812 |
| logD: | 3.8119 |
| logSw: | -4.4257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.059 |
| InChI Key: | URGXKYYLDREXRQ-UHFFFAOYSA-N |