N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0313 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-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(NCCN(Cc1ccco1)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7075 |
| logD: | 1.987 |
| logSw: | -3.947 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.843 |
| InChI Key: | YTXGBUYPOGRJGH-UHFFFAOYSA-N |