methyl N-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]methioninate
Chemical Structure Depiction of
methyl N-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]methioninate
methyl N-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]methioninate
Compound characteristics
| Compound ID: | E456-0940 |
| Compound Name: | methyl N-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]methioninate |
| Molecular Weight: | 474.64 |
| Molecular Formula: | C24 H30 N2 O4 S2 |
| Smiles: | CC(C)CN1C(C(C(NC(CCSC)C(=O)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4304 |
| logD: | 3.4304 |
| logSw: | -3.8054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.43 |
| InChI Key: | JPBOVXBUNXOEDU-UHFFFAOYSA-N |