4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl 2-fluorobenzoate
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 4816-0026 |
| Compound Name: | 4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl 2-fluorobenzoate |
| Molecular Weight: | 530.57 |
| Molecular Formula: | C29 H23 F N2 O5 S |
| Smiles: | Cc1ccc(cc1)N(Cc1ccc(c(c1)OC)OC(c1ccccc1F)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8096 |
| logD: | 5.8096 |
| logSw: | -5.5143 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.928 |
| InChI Key: | ZYGUWFKOLWDVAI-UHFFFAOYSA-N |