4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
Chemical Structure Depiction of
4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
Compound characteristics
| Compound ID: | E770-0216 |
| Compound Name: | 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | CSc1ccc(CCNC(CCC(N2CCC(=CC2)c2c[nH]c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6406 |
| logD: | 3.6406 |
| logSw: | -4.002 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.271 |
| InChI Key: | ZZIPBMJUPKQQJT-UHFFFAOYSA-N |