4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C138-0478 |
| Compound Name: | 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C29 H32 N2 O4 S |
| Smiles: | CN1C(C(C(N2CCC(CC2)Cc2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2848 |
| logD: | 4.2848 |
| logSw: | -4.4275 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.344 |
| InChI Key: | VVVVITGCXURVCF-UHFFFAOYSA-N |