2-{2-[3,5-dimethyl-4-(prop-2-en-1-yl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{2-[3,5-dimethyl-4-(prop-2-en-1-yl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/1)
2-{2-[3,5-dimethyl-4-(prop-2-en-1-yl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D481-1365 |
| Compound Name: | 2-{2-[3,5-dimethyl-4-(prop-2-en-1-yl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 458.02 |
| Molecular Formula: | C23 H27 N5 O S |
| Salt: | HCl |
| Smiles: | [H]C([H])(C=C)c1c(C)nn(c1C)c1nc(CC(N2CCN(CC2)c2ccccc2)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.9397 |
| logD: | 3.9396 |
| logSw: | -4.0777 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.353 |
| InChI Key: | CQTDLUSWAWIWJH-UHFFFAOYSA-N |