4-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-2-nitrophenol
Chemical Structure Depiction of
4-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-2-nitrophenol
4-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-2-nitrophenol
Compound characteristics
| Compound ID: | 8008-0709 |
| Compound Name: | 4-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-2-nitrophenol |
| Molecular Weight: | 500.39 |
| Molecular Formula: | C21 H14 Br N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.3827 |
| logD: | 5.7631 |
| logSw: | -5.9096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.804 |
| InChI Key: | SYMTXHXRRXOUDH-UHFFFAOYSA-N |