N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)urea
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)urea
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)urea
Compound characteristics
| Compound ID: | E942-0387 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)urea |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCC1CCN(CC1)CCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.258 |
| logD: | 2.2987 |
| logSw: | -4.1878 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.79 |
| InChI Key: | IQJBBGUNWPYEGZ-UHFFFAOYSA-N |