1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-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)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V007-5554 |
| Compound Name: | 1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 605.13 |
| Molecular Formula: | C27 H29 Cl N4 O6 S2 |
| Smiles: | CC1CN(CCN1S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)C(CN1CCc2c(ccs2)C1c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5141 |
| logD: | 4.4916 |
| logSw: | -4.8164 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.661 |
| InChI Key: | UISXWPQYBCBOJK-UHFFFAOYSA-N |