N-(3-chlorophenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(3-chlorophenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(3-chlorophenyl)-N-methyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0121 |
| Compound Name: | N-(3-chlorophenyl)-N-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(N(C)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3815 |
| logD: | 4.0361 |
| logSw: | -4.4562 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.625 |
| InChI Key: | FAXJWAFEJXXXAG-UHFFFAOYSA-N |