4-chloro-2-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-6-nitrophenol
Chemical Structure Depiction of
4-chloro-2-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-6-nitrophenol
4-chloro-2-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-6-nitrophenol
Compound characteristics
| Compound ID: | 1348-1172 |
| Compound Name: | 4-chloro-2-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]-6-nitrophenol |
| Molecular Weight: | 402.86 |
| Molecular Formula: | C18 H15 Cl N4 O3 S |
| Smiles: | [H]n1c(C)c(c(C)n1)Sc1ccccc1/N=C/c1cc(cc(c1O[H])[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8061 |
| logD: | 2.583 |
| logSw: | -4.6031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.871 |
| InChI Key: | NACPBYJBSRNCOT-UHFFFAOYSA-N |