methyl 2-(2-{6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
methyl 2-(2-{6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | G775-0666 |
| Compound Name: | methyl 2-(2-{6-[(2,5-dimethylphenyl)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: | Cc1ccc(C)c(CN2CCCN(CC(Nc3ccccc3C(=O)OC)=O)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3412 |
| logD: | 3.3267 |
| logSw: | -3.5991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.004 |
| InChI Key: | MNUTTYBCFXDLNF-UHFFFAOYSA-N |