3-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-fluoro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-fluoro-1-benzothiophene-2-carboxamide
3-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-fluoro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y205-3919 |
| Compound Name: | 3-chloro-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-fluoro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C21 H16 Cl2 F N3 O S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1c(c2c(cccc2s1)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9065 |
| logD: | 4.9026 |
| logSw: | -5.0225 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.963 |
| InChI Key: | QKNQYDCNPFRKNE-UHFFFAOYSA-N |