2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8009-2890 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl 4-methoxybenzoate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | Cc1cccc(c1)N(CCOC(c1ccc(cc1)OC)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8585 |
| logD: | 4.8585 |
| logSw: | -4.6234 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.403 |
| InChI Key: | VUVPUEKIRMLKDG-UHFFFAOYSA-N |