2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one
2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D351-0976 |
| Compound Name: | 2-(2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 414.96 |
| Molecular Formula: | C21 H23 Cl N4 O S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n(c2nc(CC(N3CCCC3)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7168 |
| logD: | 4.7167 |
| logSw: | -4.7251 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.187 |
| InChI Key: | YJNJPIPRTPELJV-UHFFFAOYSA-N |