N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea--hydrogen chloride (1/3)
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea--hydrogen chloride (1/3)
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | E942-0335 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea--hydrogen chloride (1/3) |
| Molecular Weight: | 491.84 |
| Molecular Formula: | C21 H26 N4 O3 |
| Salt: | 3HCl |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCc1c(C)noc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5797 |
| logD: | 2.5179 |
| logSw: | -3.2075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.94 |
| InChI Key: | YMWAYXNOWZLQDU-UHFFFAOYSA-N |