methyl 2-(4-tert-butylbenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(4-tert-butylbenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(4-tert-butylbenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0011 |
| Compound Name: | methyl 2-(4-tert-butylbenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C22 H22 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5262 |
| logD: | 3.4982 |
| logSw: | -3.6307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.235 |
| InChI Key: | DSJCMQGJJNVKDB-UHFFFAOYSA-N |