sodium--4-[(4-chlorophenyl)methyl]-3-methyl-1-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-olate (1/1)
Chemical Structure Depiction of
sodium--4-[(4-chlorophenyl)methyl]-3-methyl-1-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-olate (1/1)
sodium--4-[(4-chlorophenyl)methyl]-3-methyl-1-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-olate (1/1)
Compound characteristics
| Compound ID: | D475-2101 |
| Compound Name: | sodium--4-[(4-chlorophenyl)methyl]-3-methyl-1-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-olate (1/1) |
| Molecular Weight: | 466.96 |
| Molecular Formula: | C22 H24 Cl N4 O2 S |
| Salt: | Na+ |
| Smiles: | CC1CCN(CC1)C(c1c(C)nc(n2c(c(Cc3ccc(cc3)[Cl])c(C)n2)[O-])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.534 |
| logD: | 4.265 |
| logSw: | -4.46 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.86 |
| InChI Key: | USJUXGLCQUXUQL-UHFFFAOYSA-M |