2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 2-methoxybenzoate
Chemical Structure Depiction of
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 2-methoxybenzoate
2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 2461-0007 |
| Compound Name: | 2-[{4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]benzene-1-sulfonyl}(4-methylphenyl)amino]ethyl 2-methoxybenzoate |
| Molecular Weight: | 605.69 |
| Molecular Formula: | C30 H27 N3 O7 S2 |
| Smiles: | Cc1ccc(cc1)N(CCOC(c1ccccc1OC)=O)S(c1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9853 |
| logD: | 4.6858 |
| logSw: | -4.6255 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.055 |
| InChI Key: | IXBHXIMYVGMFEG-UHFFFAOYSA-N |