N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0380 |
| Compound Name: | N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCc1ccc(CN2CCCCCC2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0965 |
| logD: | 2.0287 |
| logSw: | -4.0875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.136 |
| InChI Key: | XUQILEYNPBDLTH-UHFFFAOYSA-N |