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500164-74-9 | 6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CAS No: 500164-74-9 Catalog No: AG01BB4P MDL No:MFCD30182349
Product Description
Catalog Number:
AG01BB4P
Chemical Name:
6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CAS Number:
500164-74-9
Molecular Formula:
C23H22N2O4
Molecular Weight:
390.4318
MDL Number:
MFCD30182349
IUPAC Name:
6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
InChI:
InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
InChI Key:
YCAACZFPADQMAR-UHFFFAOYSA-N
SMILES:
COCCOCc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.439g/mol
Monoisotopic Mass:
390.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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