N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0427 |
| Compound Name: | N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H20 F N3 O3 S |
| Smiles: | CN1CCN(CC1)C1=C(C(Nc2ccc(cc2)F)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.204 |
| logD: | 2.1564 |
| logSw: | -3.0667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.444 |
| InChI Key: | CAIKJKAGIUKHBA-UHFFFAOYSA-N |