2-(2-methylpropyl)-1-oxo-N-[3-(4-phenylpiperazin-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-(4-phenylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-1-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1014 |
| Compound Name: | 2-(2-methylpropyl)-1-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 530.73 |
| Molecular Formula: | C31 H38 N4 O2 S |
| Smiles: | CC(C)CN1C(C(C(NCCCN2CCN(CC2)c2ccccc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4124 |
| logD: | 3.8262 |
| logSw: | -4.0725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.439 |
| InChI Key: | VJTDEFHECFLXHS-UHFFFAOYSA-N |