4-bromo-2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-bromo-2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
4-bromo-2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8007-1959 |
| Compound Name: | 4-bromo-2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C25 H23 Br N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)/N=C/c2cc(ccc2O)[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.1565 |
| logD: | 8.0937 |
| logSw: | -5.6088 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.724 |
| InChI Key: | OBECSRKKXDLRBW-UHFFFAOYSA-N |