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1181534-02-0 | 4-[2-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanoic acid
CAS No: 1181534-02-0 Catalog No: AG01FJ6S MDL No:
Product Description
Catalog Number:
AG01FJ6S
Chemical Name:
4-[2-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanoic acid
CAS Number:
1181534-02-0
Molecular Formula:
C21H20N4O2
Molecular Weight:
360.4091
IUPAC Name:
4-[2-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanoic acid
InChI:
InChI=1S/C21H20N4O2/c26-20(27)12-6-11-19-22-17-10-5-4-9-16(17)21-23-18(24-25(19)21)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,26,27)
InChI Key:
BBWSRMDEFZYIBR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nc2ccccc2c2n1nc(n2)CCc1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.417g/mol
Monoisotopic Mass:
360.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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