methyl 3-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoate
methyl 3-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8009-6285 |
| Compound Name: | methyl 3-[(2-tert-butyl-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)(C)N1C(c2ccc(cc2C1=O)C(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6482 |
| logD: | 3.6453 |
| logSw: | -3.9671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.112 |
| InChI Key: | QHDUDRXTJXRQIL-UHFFFAOYSA-N |