dimethyl 5-{[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E013-0057 |
| Compound Name: | dimethyl 5-{[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1Nc1cc(cc(c1)C(=O)OC)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3124 |
| logD: | 4.3095 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.192 |
| InChI Key: | AFDBNXKAPZICSI-UHFFFAOYSA-N |