N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2001 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C20 H17 F N4 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccn(COc3ccccc3F)n1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9609 |
| logD: | 2.1594 |
| logSw: | -4.4431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.551 |
| InChI Key: | PZAFWIZMPOUBNK-UHFFFAOYSA-N |