2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Chemical Structure Depiction of
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8007-0386 |
| Compound Name: | 2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}phenol |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C21 H15 Br N2 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)/N=C/c1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 6.4939 |
| logD: | 6.4607 |
| logSw: | -5.9634 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.724 |
| InChI Key: | ZCUQXOATHWTKMG-UHFFFAOYSA-N |