N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0864 |
| Compound Name: | N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 529.75 |
| Molecular Formula: | C32 H39 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(NCC2CCN(CC2)Cc2cccc(C)c2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8409 |
| logD: | 3.3485 |
| logSw: | -5.5366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.087 |
| InChI Key: | XPCXWNGNEWFXIT-UHFFFAOYSA-N |