200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1542066-74-9
1542066-74-9 | 4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4,5-dihydro-5-[3-(1H-imidazol-1-yl)propyl]-3-phenyl-pyrrolo[3,4-c]pyrazol-6(1H)-one
CAS No: 1542066-74-9 Catalog No: AG01EPB6 MDL No:
Product Description
Catalog Number:
AG01EPB6
Chemical Name:
4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4,5-dihydro-5-[3-(1H-imidazol-1-yl)propyl]-3-phenyl-pyrrolo[3,4-c]pyrazol-6(1H)-one
CAS Number:
1542066-74-9
Molecular Formula:
C30H25BrFN5O
Molecular Weight:
570.4548
IUPAC Name:
4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
InChI:
InChI=1S/C30H25BrFN5O/c31-24-11-9-23(10-12-24)28-26-27(22-5-2-1-3-6-22)34-37(19-21-7-13-25(32)14-8-21)29(26)30(38)36(28)17-4-16-35-18-15-33-20-35/h1-3,5-15,18,20,28H,4,16-17,19H2
InChI Key:
WBTRUQGSTZSFSK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1c2c(nn(c2C(=O)N1CCCn1ccnc1)Cc1ccc(cc1)F)c1ccccc1
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.123g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.466g/mol
Monoisotopic Mass:
569.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.