methyl 4-(2-{1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
methyl 4-(2-{1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-5493 |
| Compound Name: | methyl 4-(2-{1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1lambda~6~,2,5-thiadiazolidin-2-yl}acetamido)benzoate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | Cc1cc(C)c(CN2CCN(CC(Nc3ccc(cc3)C(=O)OC)=O)S2(=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8867 |
| logD: | 3.8866 |
| logSw: | -4.0378 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | YCGFPWSBZQBLIP-UHFFFAOYSA-N |