methyl 2-(2-{6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
methyl 2-(2-{6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | G775-0450 |
| Compound Name: | methyl 2-(2-{6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CN1CCCN(Cc2ccc(cc2)OC)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1456 |
| logD: | 2.1311 |
| logSw: | -3.0006 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.548 |
| InChI Key: | AYHMKBHAWRPUPT-UHFFFAOYSA-N |