methyl 4-{[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoate
methyl 4-{[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y042-3511 |
| Compound Name: | methyl 4-{[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C21 H20 N2 O5 |
| Smiles: | CC(C)CN1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.7203 |
| logSw: | -4.0874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.028 |
| InChI Key: | JWDOJLMECXWVML-UHFFFAOYSA-N |