2-{[(4-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]methyl}phenyl (4-methylphenoxy)acetate
Chemical Structure Depiction of
2-{[(4-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]methyl}phenyl (4-methylphenoxy)acetate
2-{[(4-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]methyl}phenyl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | 6313-0031 |
| Compound Name: | 2-{[(4-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]methyl}phenyl (4-methylphenoxy)acetate |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C29 H23 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1)OCC(=O)Oc1ccccc1CN(C1c2ccccc2S(N=1)(=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0367 |
| logD: | 6.0367 |
| logSw: | -6.0227 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.202 |
| InChI Key: | SXVPEOUTSBMGBP-UHFFFAOYSA-N |