2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4,6-diiodophenol
Chemical Structure Depiction of
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4,6-diiodophenol
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4,6-diiodophenol
Compound characteristics
| Compound ID: | 8007-0404 |
| Compound Name: | 2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4,6-diiodophenol |
| Molecular Weight: | 707.19 |
| Molecular Formula: | C21 H13 Br I2 N2 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)/N=C/c1cc(cc(c1O)I)I |
| Stereo: | ACHIRAL |
| logP: | 8.5252 |
| logD: | 7.9004 |
| logSw: | -6.2029 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.655 |
| InChI Key: | CQKHNAVWXHTRFP-UHFFFAOYSA-N |