2-(2-methylpropyl)-1-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methylpropyl)-1-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-1-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0852 |
| Compound Name: | 2-(2-methylpropyl)-1-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CC(C)CN1C(C(C(NCCCN2CCCC2=O)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3101 |
| logD: | 2.3101 |
| logSw: | -2.9181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.708 |
| InChI Key: | KDGMBESAXSXIOG-UHFFFAOYSA-N |