3-{2-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Chemical Structure Depiction of
3-{2-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
3-{2-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Compound characteristics
| Compound ID: | M513-1795 |
| Compound Name: | 3-{2-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCN(CCc2cn(C)c3c2cccn3)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8323 |
| logD: | 2.7894 |
| logSw: | -2.9855 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.934 |
| InChI Key: | JPNKVDPNSVBOCU-UHFFFAOYSA-N |