1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V012-4652 |
| Compound Name: | 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(c1)[N+]([O-])=O)=O)C(CN1CCc2c(ccs2)C1c1ccccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4326 |
| logD: | 4.4077 |
| logSw: | -4.3277 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.578 |
| InChI Key: | DQCUEAMQQWIAIZ-UHFFFAOYSA-N |