N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2-methylphenyl)-N-(oxan-4-yl)urea
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2-methylphenyl)-N-(oxan-4-yl)urea
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2-methylphenyl)-N-(oxan-4-yl)urea
Compound characteristics
| Compound ID: | SC12-0111 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N'-(2-methylphenyl)-N-(oxan-4-yl)urea |
| Molecular Weight: | 407.56 |
| Molecular Formula: | C25 H33 N3 O2 |
| Smiles: | Cc1ccccc1NC(N(CCCN1CCc2ccccc2C1)C1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0255 |
| logD: | 3.2408 |
| logSw: | -3.8813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.077 |
| InChI Key: | WUPKSVUXQPDNNJ-UHFFFAOYSA-N |