1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-6367 |
| Compound Name: | 1-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 589.13 |
| Molecular Formula: | C27 H29 Cl N4 O5 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)C(CN1CCc2c(ccs2)C1c1ccccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9626 |
| logD: | 4.9377 |
| logSw: | -5.0412 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.117 |
| InChI Key: | YDCWHIJJWPXFOJ-UHFFFAOYSA-N |