4-chloro-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzene-1-sulfonamide
4-chloro-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V008-5615 |
| Compound Name: | 4-chloro-N-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-3-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 548.08 |
| Molecular Formula: | C25 H26 Cl N3 O5 S2 |
| Smiles: | CC(C)N(CC(N1CCc2c(ccs2)C1c1ccccc1C)=O)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8792 |
| logD: | 5.8792 |
| logSw: | -5.9661 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.862 |
| InChI Key: | NEPNFDPMOMFBTK-RUZDIDTESA-N |