sodium--4-benzyl-1-{5-[(3-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl}-3-methyl-1H-pyrazol-5-olate (1/1)
Chemical Structure Depiction of
sodium--4-benzyl-1-{5-[(3-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl}-3-methyl-1H-pyrazol-5-olate (1/1)
sodium--4-benzyl-1-{5-[(3-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl}-3-methyl-1H-pyrazol-5-olate (1/1)
Compound characteristics
| Compound ID: | D475-2017 |
| Compound Name: | sodium--4-benzyl-1-{5-[(3-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl}-3-methyl-1H-pyrazol-5-olate (1/1) |
| Molecular Weight: | 460.92 |
| Molecular Formula: | C22 H18 Cl N4 O2 S |
| Salt: | Na+ |
| Smiles: | Cc1c(C(Nc2cccc(c2)[Cl])=O)sc(n1)n1c(c(Cc2ccccc2)c(C)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.978 |
| logD: | 4.963 |
| logSw: | -4.662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.31 |
| InChI Key: | RSWBAMIOUWPONQ-UHFFFAOYSA-M |