3-chloro-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-benzothiophene-2-carboxamide
3-chloro-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y500-7720 |
| Compound Name: | 3-chloro-N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 430.35 |
| Molecular Formula: | C21 H17 Cl2 N3 O S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2[Cl])n1)NC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8175 |
| logD: | 4.8136 |
| logSw: | -4.8613 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.963 |
| InChI Key: | VSVZUFQAGVVLFP-UHFFFAOYSA-N |