N-methyl-N-(3-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-methyl-N-(3-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-methyl-N-(3-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0137 |
| Compound Name: | N-methyl-N-(3-methylphenyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C22 H25 N3 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(N(C)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2405 |
| logD: | 4.229 |
| logSw: | -4.3024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.625 |
| InChI Key: | ISGXSJGHSDYBCX-UHFFFAOYSA-N |