4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl thiophene-2-carboxylate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6681-0037 |
| Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C26 H20 N2 O5 S2 |
| Smiles: | COc1ccc(CN(C2c3ccccc3S(N=2)(=O)=O)c2ccc(cc2)OC(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2306 |
| logD: | 5.2306 |
| logSw: | -5.0838 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.773 |
| InChI Key: | JNWYFTVPMKDUCQ-UHFFFAOYSA-N |