2-{2-methyl-3-[1-(3-nitrobenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-methyl-3-[1-(3-nitrobenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{2-methyl-3-[1-(3-nitrobenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C614-1057 |
| Compound Name: | 2-{2-methyl-3-[1-(3-nitrobenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | Cc1c(C2CCN(CC=2)S(c2cccc(c2)[N+]([O-])=O)(=O)=O)c2ccccc2n1CC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1701 |
| logD: | 4.1701 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.018 |
| InChI Key: | YWIFAZAEOBEPGJ-UHFFFAOYSA-N |