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 |