(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-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-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
(2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-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: | D314-0673 |
| Compound Name: | (2-{3,5-dimethyl-4-[(4-methylphenyl)methyl]-1H-pyrazol-1-yl}-4-methyl-1,3-thiazol-5-yl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C24 H31 N5 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(Cc2c(C)nn(c2C)c2nc(C)c(C(N3CCN(CC3)CCO)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1402 |
| logD: | 3.0872 |
| logSw: | -2.9184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.876 |
| InChI Key: | NVBRUYRFIYRUHF-UHFFFAOYSA-N |