2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-chlorophenol
Chemical Structure Depiction of
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-chlorophenol
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-chlorophenol
Compound characteristics
| Compound ID: | 8007-0393 |
| Compound Name: | 2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-chlorophenol |
| Molecular Weight: | 489.84 |
| Molecular Formula: | C21 H14 Br Cl N2 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)/N=C/c1cc(ccc1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.0684 |
| logD: | 6.9988 |
| logSw: | -6.4429 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.724 |
| InChI Key: | BBKFJLMALLTAOS-UHFFFAOYSA-N |