ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D314-0151 |
| Compound Name: | ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 470.03 |
| Molecular Formula: | C21 H31 N5 O3 S |
| Salt: | HCl |
| Smiles: | CCCCc1c(C)nn(c1C)c1nc(C)c(C(N2CCN(CC2)C(=O)OCC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8967 |
| logD: | 3.8663 |
| logSw: | -3.7947 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.482 |
| InChI Key: | QJWZKQNKJVYRCX-UHFFFAOYSA-N |