N-(2-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-propylurea
Chemical Structure Depiction of
N-(2-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-propylurea
N-(2-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-propylurea
Compound characteristics
| Compound ID: | E942-0110 |
| Compound Name: | N-(2-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-propylurea |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | CCCN(C(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O)c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 5.194 |
| logD: | 5.125 |
| logSw: | -4.9885 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.556 |
| InChI Key: | VPCCRMNPYKTFKE-UHFFFAOYSA-N |