N-[(2,4-difluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-[(2,4-difluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-[(2,4-difluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0613 |
| Compound Name: | N-[(2,4-difluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C21 H22 F2 N2 O2 S |
| Smiles: | C1CCN(C1)C(c1cc2CC(CCc2s1)C(NCc1ccc(cc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8277 |
| logD: | 3.8276 |
| logSw: | -3.855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.605 |
| InChI Key: | JCWIPDMWSFNVIJ-CYBMUJFWSA-N |