methyl 4-(2-{5-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{5-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
methyl 4-(2-{5-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | G364-1036 |
| Compound Name: | methyl 4-(2-{5-[(2-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | Cc1ccccc1CN1CCN(CC(Nc2ccc(cc2)C(=O)OC)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0879 |
| logD: | 3.0878 |
| logSw: | -3.2954 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | BPAQGESLRJWZRG-UHFFFAOYSA-N |