ethyl 4-{5-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
ethyl 4-{5-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C429-0105 |
| Compound Name: | ethyl 4-{5-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C27 H25 N3 O7 |
| Smiles: | CCOC(N1CCC(CC1)N1C(c2ccc(cc2C1=O)C(Nc1ccc2C(C)=CC(=O)Oc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8362 |
| logD: | 3.7505 |
| logSw: | -4.018 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.992 |
| InChI Key: | TWPJVINKPTVTDA-UHFFFAOYSA-N |