N-butyl-4-methyl-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-4-methyl-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
N-butyl-4-methyl-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V009-4570 |
| Compound Name: | N-butyl-4-methyl-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | CCCCN(CC(N1CCc2c(ccs2)C1c1ccccc1C)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0266 |
| logD: | 6.0266 |
| logSw: | -5.4281 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.894 |
| InChI Key: | QUSAJEXKXOUERE-HHHXNRCGSA-N |