N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[2-methyl-1-(thiophen-2-yl)propyl]urea
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[2-methyl-1-(thiophen-2-yl)propyl]urea
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[2-methyl-1-(thiophen-2-yl)propyl]urea
Compound characteristics
| Compound ID: | E942-0337 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[2-methyl-1-(thiophen-2-yl)propyl]urea |
| Molecular Weight: | 470.46 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Salt: | 2HCl |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NC(C(C)C)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0326 |
| logD: | 4.026 |
| logSw: | -4.2058 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.431 |
| InChI Key: | LVUGUQUVBQLHAK-FQEVSTJZSA-N |