3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Chemical Structure Depiction of
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Compound characteristics
| Compound ID: | Y040-4685 |
| Compound Name: | 3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C28 H31 N O5 |
| Smiles: | CC1=C(CCC(N2CCc3ccccc3C2)=O)C(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8152 |
| logD: | 4.8152 |
| logSw: | -4.8158 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.59 |
| InChI Key: | JZZSMCCMUOJQNO-UHFFFAOYSA-N |