1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-3-methylbut-2-en-1-one
1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V014-8557 |
| Compound Name: | 1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-3-methylbut-2-en-1-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C30 H30 N2 O3 |
| Smiles: | CC(C)=CC(N1CCc2c3cc(ccc3[nH]c2C1c1ccc(cc1)OCc1ccccc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4407 |
| logD: | 6.4407 |
| logSw: | -5.7647 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.587 |
| InChI Key: | IXAXWRGJULRGDE-SSEXGKCCSA-N |