N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L678-0381 |
| Compound Name: | N-benzyl-2-[(4-butoxyphenyl)methyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C29 H32 N2 O3 |
| Smiles: | CCCCOc1ccc(CN2C(c3ccccc3CC2(C)C(NCc2ccccc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.035 |
| logD: | 6.035 |
| logSw: | -5.485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.764 |
| InChI Key: | UOMALYAJZRQPGQ-LJAQVGFWSA-N |