(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D314-0348 |
| Compound Name: | (2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 510.48 |
| Molecular Formula: | C23 H28 Cl N5 O2 S |
| Salt: | HCl |
| Smiles: | Cc1c(C(N2CCN(CC2)CCO)=O)sc(n1)n1c(C)c(Cc2ccccc2[Cl])c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4051 |
| logD: | 3.352 |
| logSw: | -3.4457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.876 |
| InChI Key: | PWEUFAVGBHJXQA-UHFFFAOYSA-N |