N-butyl-4-chloro-N-{2-[4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-4-chloro-N-{2-[4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
N-butyl-4-chloro-N-{2-[4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0021 |
| Compound Name: | N-butyl-4-chloro-N-{2-[4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide |
| Molecular Weight: | 530.02 |
| Molecular Formula: | C26 H25 Cl F N3 O4 S |
| Smiles: | CCCCN(CC(N1CCc2c(ccs2)C1c1ccc(cc1)F)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4917 |
| logD: | 5.4917 |
| logSw: | -6.0505 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.894 |
| InChI Key: | NYNQSDGVMOQHOU-RUZDIDTESA-N |