1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-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-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-3317 |
| Compound Name: | 1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 579.07 |
| Molecular Formula: | C25 H24 Cl F N4 O5 S2 |
| Salt: | not_available |
| Smiles: | C1CN(CC(N2CCN(CC2)S(c2ccc(c(c2)[N+]([O-])=O)[Cl])(=O)=O)=O)C(c2cccc(c2)F)c2ccsc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2603 |
| logD: | 4.2559 |
| logSw: | -4.5408 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.121 |
| InChI Key: | HYXSQVABBWQUTP-RUZDIDTESA-N |