N-[3-(1H-imidazol-1-yl)propyl]-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl)propanamide
Chemical Structure Depiction of
N-[3-(1H-imidazol-1-yl)propyl]-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl)propanamide
N-[3-(1H-imidazol-1-yl)propyl]-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl)propanamide
Compound characteristics
| Compound ID: | Y041-3205 |
| Compound Name: | N-[3-(1H-imidazol-1-yl)propyl]-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl)propanamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C25 H31 N3 O5 |
| Smiles: | CC1=C(CCC(NCCCn2ccnc2)=O)C(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3536 |
| logD: | 2.1117 |
| logSw: | -2.5554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.649 |
| InChI Key: | KPFFWJJBUUDPPC-UHFFFAOYSA-N |