N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Chemical Structure Depiction of
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Compound characteristics
| Compound ID: | C066-4157 |
| Compound Name: | N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(NCCCN(Cc1ccco1)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3667 |
| logD: | 1.2166 |
| logSw: | -3.0994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.558 |
| InChI Key: | VSPYLCMGNLWVOG-UHFFFAOYSA-N |