4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-1200 |
| Compound Name: | 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C25 H28 N2 O5 |
| Smiles: | CN1C(C(C(N2CCC3(CC2)OCCO3)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.032 |
| logD: | 2.032 |
| logSw: | -2.6308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.317 |
| InChI Key: | RDPFKHQWRGXTBD-UHFFFAOYSA-N |