1-[4-(3,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(3,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V002-7969 |
| Compound Name: | 1-[4-(3,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 546.49 |
| Molecular Formula: | C27 H26 Cl2 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(c(c1)[Cl])[Cl])=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4259 |
| logD: | 5.4034 |
| logSw: | -6.0768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.197 |
| InChI Key: | CZAFBVXKXFTONJ-UHFFFAOYSA-N |