4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl pyridine-3-carboxylate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl pyridine-3-carboxylate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 6681-0035 |
| Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl pyridine-3-carboxylate |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | COc1ccc(CN(C2c3ccccc3S(N=2)(=O)=O)c2ccc(cc2)OC(c2cccnc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9047 |
| logD: | 3.9047 |
| logSw: | -3.9209 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.272 |
| InChI Key: | YNFWRSBCLQQAEP-UHFFFAOYSA-N |