methyl 3-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E456-0937 |
| Compound Name: | methyl 3-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 468.59 |
| Molecular Formula: | C24 H24 N2 O4 S2 |
| Smiles: | CC(C)CN1C(C(C(Nc2ccsc2C(=O)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5357 |
| logD: | 3.9609 |
| logSw: | -4.3257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.527 |
| InChI Key: | IVFUOLMQSJYWIF-UHFFFAOYSA-N |