2-{3-[1-(5-bromothiophene-2-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{3-[1-(5-bromothiophene-2-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{3-[1-(5-bromothiophene-2-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C614-1086 |
| Compound Name: | 2-{3-[1-(5-bromothiophene-2-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 548.52 |
| Molecular Formula: | C24 H26 Br N3 O3 S2 |
| Smiles: | Cc1c(C2CCN(CC=2)S(c2ccc(s2)[Br])(=O)=O)c2ccccc2n1CC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8384 |
| logD: | 4.8384 |
| logSw: | -4.8092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.655 |
| InChI Key: | NXEFMQQSGNCULD-UHFFFAOYSA-N |