N-[(4-chlorophenyl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-[(4-chlorophenyl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0223 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C21 H22 Cl N3 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7671 |
| logD: | 3.7542 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.06 |
| InChI Key: | RYIOZTMZNIIVKQ-UHFFFAOYSA-N |