4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl benzoate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl benzoate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl benzoate
Compound characteristics
| Compound ID: | 5058-0047 |
| Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl benzoate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C25 H18 N2 O4 S2 |
| Smiles: | C(c1cccs1)N(C1c2ccccc2S(N=1)(=O)=O)c1ccc(cc1)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8478 |
| logD: | 4.8478 |
| logSw: | -4.8657 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.229 |
| InChI Key: | VKZKOVYPILDMEB-UHFFFAOYSA-N |