N-(1-methylpiperidin-4-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]urea
Chemical Structure Depiction of
N-(1-methylpiperidin-4-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]urea
N-(1-methylpiperidin-4-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]urea
Compound characteristics
| Compound ID: | E942-0394 |
| Compound Name: | N-(1-methylpiperidin-4-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N-[2-(pyrrolidin-1-yl)ethyl]urea |
| Molecular Weight: | 453.63 |
| Molecular Formula: | C26 H39 N5 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(N(CCN1CCCC1)C1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7897 |
| logD: | -0.5418 |
| logSw: | -3.5264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.244 |
| InChI Key: | MNGHOJJCDYWDIJ-UHFFFAOYSA-N |