1-{4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | Y200-3973 |
| Compound Name: | 1-{4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C21 H18 Cl F N2 O2 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1c(c2ccc(cc2s1)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5557 |
| logD: | 4.5557 |
| logSw: | -4.8121 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.721 |
| InChI Key: | GDAXXCWDRDRIES-UHFFFAOYSA-N |