ethyl 2-(2-{6-[(4-fluorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{6-[(4-fluorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
ethyl 2-(2-{6-[(4-fluorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | E871-0113 |
| Compound Name: | ethyl 2-(2-{6-[(4-fluorophenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C21 H24 F N3 O5 S |
| Smiles: | CCOC(c1ccccc1NC(CN1CCCN(Cc2ccc(cc2)F)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.736 |
| logD: | 2.7215 |
| logSw: | -3.3511 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.584 |
| InChI Key: | MCAGTBOWSRAXNH-UHFFFAOYSA-N |