methyl 2-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E135-0839 |
| Compound Name: | methyl 2-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CN1C(=CC(c2cc(ccc2OC)OC)=NS1(=O)=O)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6254 |
| logD: | -0.5623 |
| logSw: | -3.4908 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.969 |
| InChI Key: | IDDWAJGEPVIQCZ-UHFFFAOYSA-N |