N-(3-methylbutyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(3-methylbutyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(3-methylbutyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0144 |
| Compound Name: | N-(3-methylbutyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | CC(C)CCNC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4408 |
| logD: | 3.4186 |
| logSw: | -3.7867 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.173 |
| InChI Key: | YMGFQTNFJTUAPG-UHFFFAOYSA-N |