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478247-99-3 | 2-({10-cyanopyrido[1,2-a]indol-3-yl}oxy)-N-(4-methoxyphenyl)acetamide
CAS No: 478247-99-3 Catalog No: AG00ISXJ MDL No:MFCD01815174
Product Description
Catalog Number:
AG00ISXJ
Chemical Name:
2-({10-cyanopyrido[1,2-a]indol-3-yl}oxy)-N-(4-methoxyphenyl)acetamide
CAS Number:
478247-99-3
Molecular Formula:
C22H17N3O3
Molecular Weight:
371.3887
MDL Number:
MFCD01815174
IUPAC Name:
2-(10-cyanopyrido[1,2-a]indol-3-yl)oxy-N-(4-methoxyphenyl)acetamide
InChI:
InChI=1S/C22H17N3O3/c1-27-16-7-5-15(6-8-16)24-22(26)14-28-17-9-10-18-19(13-23)20-4-2-3-11-25(20)21(18)12-17/h2-12H,14H2,1H3,(H,24,26)
InChI Key:
YNDUHRCKDKCZPM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)COc1ccc2c(c1)n1ccccc1c2C#N
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.396g/mol
Monoisotopic Mass:
371.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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