methyl 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
methyl 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate
Compound characteristics
| Compound ID: | E013-0417 |
| Compound Name: | methyl 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]amino}benzoate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1Nc1ccccc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3042 |
| logD: | 3.6237 |
| logSw: | -4.3168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.32 |
| InChI Key: | BKMTUUFOYBEFLN-UHFFFAOYSA-N |