2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
Chemical Structure Depiction of
2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol
Compound characteristics
| Compound ID: | 8007-0390 |
| Compound Name: | 2-{[(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)imino]methyl}-4-nitrophenol |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)/N=C/c2cc(ccc2O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3822 |
| logD: | 5.5308 |
| logSw: | -5.5333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.105 |
| InChI Key: | GBKLDZCFTXKQES-UHFFFAOYSA-N |