1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V008-3525 |
| Compound Name: | 1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 607.12 |
| Molecular Formula: | C27 H28 Cl F N4 O5 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)C(CCN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8109 |
| logD: | 4.4089 |
| logSw: | -4.9885 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.095 |
| InChI Key: | JTBHWLNGWAWPKR-UHFFFAOYSA-N |