diethyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1683-0621 |
| Compound Name: | diethyl 5-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C25 H28 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(CC(C)C)N1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7488 |
| logD: | 2.685 |
| logSw: | -4.618 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.081 |
| InChI Key: | JKJNJGPJRKDPJP-KRWDZBQOSA-N |