N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2,4-dimethylphenyl)-N-(oxan-4-yl)urea
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2,4-dimethylphenyl)-N-(oxan-4-yl)urea
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2,4-dimethylphenyl)-N-(oxan-4-yl)urea
Compound characteristics
| Compound ID: | SC12-0113 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2,4-dimethylphenyl)-N-(oxan-4-yl)urea |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C26 H35 N3 O2 |
| Smiles: | Cc1ccc(c(C)c1)NC(N(CCCN1CCc2ccccc2C1)C1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7133 |
| logD: | 3.9286 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.077 |
| InChI Key: | LZURWJMYJPXATM-UHFFFAOYSA-N |