N-(5-chloro-2-methoxyphenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(5-chloro-2-methoxyphenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0126 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(N(C)c1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2229 |
| logD: | 4.109 |
| logSw: | -4.5222 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.954 |
| InChI Key: | OTEPVTBKKFDPFR-UHFFFAOYSA-N |