4-chloro-N-{2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-{2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzene-1-sulfonamide
4-chloro-N-{2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V008-6495 |
| Compound Name: | 4-chloro-N-{2-[4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 594.1 |
| Molecular Formula: | C26 H28 Cl N3 O7 S2 |
| Smiles: | COCCCN(CC(N1CCc2c(ccs2)C1c1ccc(cc1)OC)=O)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8698 |
| logD: | 4.8698 |
| logSw: | -5.1086 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.945 |
| InChI Key: | IENMOHZRYCJHEE-AREMUKBSSA-N |