N-(3-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(3-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(3-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0417 |
| Compound Name: | N-(3-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 353.39 |
| Molecular Formula: | C20 H20 F N3 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1093 |
| logD: | 3.8785 |
| logSw: | -4.2504 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.738 |
| InChI Key: | VBPWWXSXTGTVIB-UHFFFAOYSA-N |