2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y508-6821 |
| Compound Name: | 2-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1ccc(Cn3cc(cn3)[Cl])cc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.2638 |
| logD: | 0.5902 |
| logSw: | -3.7614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.609 |
| InChI Key: | HBGPCKXDIQNVSZ-UHFFFAOYSA-N |