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802914-12-1 | Isoquinoline, 2-acetyl-1-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS No: 802914-12-1 Catalog No: AG00541R MDL No:
Product Description
Catalog Number:
AG00541R
Chemical Name:
Isoquinoline, 2-acetyl-1-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS Number:
802914-12-1
Molecular Formula:
C25H25NO
Molecular Weight:
355.4721
IUPAC Name:
1-[1-(2,2-diphenylethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C25H25NO/c1-19(27)26-17-16-22-14-8-9-15-23(22)25(26)18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24-25H,16-18H2,1H3
InChI Key:
DTGBUJPNKXQMRG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1CC(c1ccccc1)c1ccccc1)cccc2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.481g/mol
Monoisotopic Mass:
355.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Tetrahydroisoquinoline derivatives as melatonin MT2 receptor antagonists. | Bioorganic & medicinal chemistry letters 20041206 |
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