N-{2-[4-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[4-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(2-methylpropyl)-3-nitrobenzamide
N-{2-[4-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-5098 |
| Compound Name: | N-{2-[4-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 546.47 |
| Molecular Formula: | C26 H25 Cl2 N3 O4 S |
| Smiles: | CC(C)CN(CC(N1CCc2c(ccs2)C1c1ccc(cc1[Cl])[Cl])=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5304 |
| logD: | 6.5304 |
| logSw: | -6.3232 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.216 |
| InChI Key: | BUBMSXQVLKDTRG-RUZDIDTESA-N |