2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 2,4-dimethoxybenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 2,4-dimethoxybenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 2,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | K606-0176 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 2,4-dimethoxybenzoate |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | Cc1cccc(c1)N(CCOC(c1ccc(cc1OC)OC)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7308 |
| logD: | 4.7308 |
| logSw: | -4.5471 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.034 |
| InChI Key: | ATRQYWOTALUEHA-UHFFFAOYSA-N |