N-(3-chloro-4-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(3-chloro-4-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0013 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C20 H19 Cl F N3 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.686 |
| logD: | 4.4552 |
| logSw: | -4.8561 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.738 |
| InChI Key: | NRZJKDSJMYAZOE-UHFFFAOYSA-N |