N-[2-(pyridin-4-yl)ethyl]-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
Chemical Structure Depiction of
N-[2-(pyridin-4-yl)ethyl]-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
N-[2-(pyridin-4-yl)ethyl]-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide
Compound characteristics
| Compound ID: | Y041-5995 |
| Compound Name: | N-[2-(pyridin-4-yl)ethyl]-3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)propanamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CC1=C(CCC(NCCc2ccncc2)=O)C(=O)Oc2cc3c(CCC(C)(C)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 2.994 |
| logD: | 2.9491 |
| logSw: | -3.2337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.963 |
| InChI Key: | OPVUIGZDNPSIRD-UHFFFAOYSA-N |