(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(4-ethylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(4-ethylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(4-ethylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D314-0267 |
| Compound Name: | (2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)(4-ethylpiperazin-1-yl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 494.49 |
| Molecular Formula: | C23 H28 Cl N5 O S |
| Salt: | HCl |
| Smiles: | CCN1CCN(CC1)C(c1c(C)nc(n2c(C)c(Cc3ccc(cc3)[Cl])c(C)n2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1146 |
| logD: | 3.9448 |
| logSw: | -4.3687 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.967 |
| InChI Key: | SBJCJQAUESNKDX-UHFFFAOYSA-N |