ethyl 4-{[4-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
ethyl 4-{[4-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P114-0855 |
| Compound Name: | ethyl 4-{[4-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | CCn1cc(C2CCN(CC=2)C(Nc2ccc(cc2)C(=O)OCC)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.056 |
| logD: | 4.0553 |
| logSw: | -3.8723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.825 |
| InChI Key: | XHTKURTZYCHPBI-UHFFFAOYSA-N |