4-bromo-2-methoxy-6-{[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl}phenol
Chemical Structure Depiction of
4-bromo-2-methoxy-6-{[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl}phenol
4-bromo-2-methoxy-6-{[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl}phenol
Compound characteristics
| Compound ID: | K630-0108 |
| Compound Name: | 4-bromo-2-methoxy-6-{[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methyl}phenol |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C22 H19 Br N2 O2 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NCc1cc(cc(c1O)OC)[Br])n2 |
| Stereo: | ACHIRAL |
| logP: | 6.2665 |
| logD: | 6.2654 |
| logSw: | -5.3795 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.032 |
| InChI Key: | SEQUSJJWLWVNGY-UHFFFAOYSA-N |