2-{[4-(1,3-benzothiazol-2-yl)anilino]methyl}-4-benzyl-6-nitrophenol
Chemical Structure Depiction of
2-{[4-(1,3-benzothiazol-2-yl)anilino]methyl}-4-benzyl-6-nitrophenol
2-{[4-(1,3-benzothiazol-2-yl)anilino]methyl}-4-benzyl-6-nitrophenol
Compound characteristics
| Compound ID: | K630-0084 |
| Compound Name: | 2-{[4-(1,3-benzothiazol-2-yl)anilino]methyl}-4-benzyl-6-nitrophenol |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C27 H21 N3 O3 S |
| Smiles: | C(c1ccccc1)c1cc(CNc2ccc(cc2)c2nc3ccccc3s2)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.2007 |
| logD: | 7.0229 |
| logSw: | -6.1439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.21 |
| InChI Key: | LSPDGOQSTBZRPJ-UHFFFAOYSA-N |