N-tert-butyl-N'-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)urea
Chemical Structure Depiction of
N-tert-butyl-N'-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)urea
N-tert-butyl-N'-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)urea
Compound characteristics
| Compound ID: | V014-3757 |
| Compound Name: | N-tert-butyl-N'-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)urea |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C26 H36 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC(C1c2cc(c(cc2CCN1Cc1ccc(cc1)F)OC)OC)NC(NC(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9707 |
| logD: | 2.2044 |
| logSw: | -4.0017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.317 |
| InChI Key: | NDQCCZHVDTVBFU-UHFFFAOYSA-N |