4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methyl-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methyl-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methyl-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V002-7998 |
| Compound Name: | 4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methyl-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 552.73 |
| Molecular Formula: | C29 H33 F N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(Nc1ccc(cc1)SC)=O)C(CCN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3019 |
| logD: | 4.8999 |
| logSw: | -5.3154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.996 |
| InChI Key: | KBOITOQUUWEKPB-UHFFFAOYSA-N |