2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
Chemical Structure Depiction of
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
Compound characteristics
| Compound ID: | 8006-9921 |
| Compound Name: | 2-{[(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol |
| Molecular Weight: | 500.39 |
| Molecular Formula: | C21 H14 Br N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)/N=C/c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4216 |
| logD: | 4.5702 |
| logSw: | -5.8759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.105 |
| InChI Key: | GMMKOJSFULLRFS-UHFFFAOYSA-N |