200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 81810-80-2
81810-80-2 | Isoquinoline, 1,2-dihydro-1-(1H-indol-3-yl)-2-(4-methoxybenzoyl)-
CAS No: 81810-80-2 Catalog No: AG0056Q8 MDL No:
Product Description
Catalog Number:
AG0056Q8
Chemical Name:
Isoquinoline, 1,2-dihydro-1-(1H-indol-3-yl)-2-(4-methoxybenzoyl)-
CAS Number:
81810-80-2
Molecular Formula:
C25H20N2O2
Molecular Weight:
380.4385
IUPAC Name:
[1-(1H-indol-3-yl)-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C25H20N2O2/c1-29-19-12-10-18(11-13-19)25(28)27-15-14-17-6-2-3-7-20(17)24(27)22-16-26-23-9-5-4-8-21(22)23/h2-16,24,26H,1H3
InChI Key:
AXCXHDJZTKWNKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1C=Cc2c(C1c1c[nH]c3c1cccc3)cccc2
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.152g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.447g/mol
Monoisotopic Mass:
380.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.