ethyl 2-(2-{6-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{6-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
ethyl 2-(2-{6-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
Compound ID: | G348-0606 |
Compound Name: | ethyl 2-(2-{6-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate |
Molecular Weight: | 445.54 |
Molecular Formula: | C22 H27 N3 O5 S |
Smiles: | CCOC(c1ccccc1NC(CN1CCCN(Cc2ccccc2C)S1(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4575 |
logD: | 3.443 |
logSw: | -3.5521 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.584 |
InChI Key: | QZZAQMFDWMTENJ-UHFFFAOYSA-N |