3-{2-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Chemical Structure Depiction of
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine
Compound characteristics
| Compound ID: | M513-1860 |
| Compound Name: | 3-{2-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethyl}-1-methyl-1H-pyrrolo[2,3-b]pyridine |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | Cn1cc(CCN2CCN(CC2)S(c2ccc3c(c2)OCCO3)(=O)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 1.1162 |
| logD: | 1.0732 |
| logSw: | -2.2975 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.758 |
| InChI Key: | MFEJYHDJLJLQMZ-UHFFFAOYSA-N |