methyl 3-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E456-1617 |
| Compound Name: | methyl 3-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H18 N2 O5 S |
| Smiles: | COC(c1c(ccs1)NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1413 |
| logD: | 2.2881 |
| logSw: | -3.7902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.884 |
| InChI Key: | XJFSRTJBGAOXQF-UHFFFAOYSA-N |