2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-benzyl-6-nitrophenol
Chemical Structure Depiction of
2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-benzyl-6-nitrophenol
2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-benzyl-6-nitrophenol
Compound characteristics
| Compound ID: | 1812-0638 |
| Compound Name: | 2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-benzyl-6-nitrophenol |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C27 H19 N3 O3 S |
| Smiles: | C(c1ccccc1)c1cc(/C=N/c2ccc(cc2)c2nc3ccccc3s2)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.1436 |
| logD: | 5.3415 |
| logSw: | -6.1459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.103 |
| InChI Key: | JIHUAEPYQDISOW-UHFFFAOYSA-N |