methyl 2-{[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | E135-0484 |
Compound Name: | methyl 2-{[5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
Molecular Weight: | 417.41 |
Molecular Formula: | C19 H16 F N3 O5 S |
Smiles: | CN1C(=CC(c2ccc(cc2)F)=NS1(=O)=O)C(Nc1ccccc1C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.7948 |
logD: | -0.3929 |
logSw: | -3.8008 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.795 |
InChI Key: | WIGXWOQRUBWCPO-UHFFFAOYSA-N |