2,4-dibromo-6-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Chemical Structure Depiction of
2,4-dibromo-6-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
2,4-dibromo-6-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8007-0401 |
| Compound Name: | 2,4-dibromo-6-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol |
| Molecular Weight: | 590.4 |
| Molecular Formula: | C25 H22 Br2 N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)/N=C/c2cc(cc(c2O)[Br])[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.9159 |
| logD: | 8.3494 |
| logSw: | -5.7056 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.655 |
| InChI Key: | GVVIUWLDQCVUHD-UHFFFAOYSA-N |