4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | Y500-5688 |
| Compound Name: | 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc(Cn3cc(cn3)[Cl])cc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9467 |
| logD: | 1.2408 |
| logSw: | -4.8685 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.606 |
| InChI Key: | VPEISSXJNDORBD-UHFFFAOYSA-N |