N-[2-(azepan-1-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-[2-(azepan-1-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0265 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C22 H32 N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0895 |
| logD: | 0.0892 |
| logSw: | -3.5082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.215 |
| InChI Key: | NCBILSWSAFMRMV-UHFFFAOYSA-N |