2-(2-methylpropyl)-1-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methylpropyl)-1-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-1-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0951 |
| Compound Name: | 2-(2-methylpropyl)-1-oxo-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 551.73 |
| Molecular Formula: | C29 H33 N3 O4 S2 |
| Smiles: | CC(C)CN1C(C(C(Nc2ccc(cc2)S(N2CCCCC2)(=O)=O)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9161 |
| logD: | 4.8973 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.743 |
| InChI Key: | MELGCIAKYILOEW-UHFFFAOYSA-N |