Basic information
- CAS
1024184-35-7- Standard SMILES
COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)=NCC2- InChIKey
QHVOZCHILWDYQG-UHFFFAOYSA-N- Molecular formula
- C25H24ClN3O3
- Average molar mass
- 449.9 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
- IUPAC
- 1-(3-chlorophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
- English name
- 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(3-chlorophenyl)urea
- Molecular formula
- C25H24ClN3O3
- Molecular weight
- 449.93
Names & synonyms
1024184-35-71-(3-chlorophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(3-CHLOROPHENYL)UREA3-(3-chlorophenyl)-1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}ureaMFCD03839401ZQB18435AKOS022170006MS-9406Urea, N-(3-chlorophenyl)-N'-[4-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]phenyl]-
Database identifiers
- CAS
1024184-35-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Physicochemical properties
- Boiling point
- 543.4 · 543.4±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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