ethyl 4-[(2-{4-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[(2-{4-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
ethyl 4-[(2-{4-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-1634 |
| Compound Name: | ethyl 4-[(2-{4-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 522.04 |
| Molecular Formula: | C24 H28 F N5 O3 S |
| Salt: | HCl |
| Smiles: | [H]C([H])(c1cccc(c1)F)c1c(C)nn(c1C)c1nc(CC(N2CCN(CC2)C(=O)OCC)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.953 |
| logD: | 3.9529 |
| logSw: | -4.0849 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.602 |
| InChI Key: | IYEOLEVCUCKHLI-UHFFFAOYSA-N |