N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(3-methoxyphenyl)-N-(oxan-4-yl)urea
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(3-methoxyphenyl)-N-(oxan-4-yl)urea
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(3-methoxyphenyl)-N-(oxan-4-yl)urea
Compound characteristics
| Compound ID: | SC12-0112 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(3-methoxyphenyl)-N-(oxan-4-yl)urea |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | COc1cccc(c1)NC(N(CCCN1CCc2ccccc2C1)C1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.901 |
| logD: | 3.1164 |
| logSw: | -3.8898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.319 |
| InChI Key: | MINXCCLWKZQGSU-UHFFFAOYSA-N |