methyl 2-({1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0751 |
| Compound Name: | methyl 2-({1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C21 H20 F N3 O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1ccn(COc2ccccc2F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0409 |
| logD: | 1.2157 |
| logSw: | -4.3648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | GIAFAQDGHRIZGV-UHFFFAOYSA-N |