3-{4-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-sulfonyl}benzonitrile
3-{4-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | M513-1857 |
| Compound Name: | 3-{4-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | Cn1cc(CCN2CCN(CC2)S(c2cccc(C#N)c2)(=O)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 1.7131 |
| logD: | 1.6702 |
| logSw: | -2.3471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.991 |
| InChI Key: | VVSUCUIQEHLZQD-UHFFFAOYSA-N |