2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-methoxybenzoate
Chemical Structure Depiction of
2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-methoxybenzoate
2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | 4816-0002 |
| Compound Name: | 2-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl 3-methoxybenzoate |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C29 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)N(Cc1ccccc1OC(c1cccc(c1)OC)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7591 |
| logD: | 5.7591 |
| logSw: | -5.5284 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.841 |
| InChI Key: | GEOZIYYYVINXFW-UHFFFAOYSA-N |