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151602-19-6 | Butanoic acid, 4-(acetylamino)-, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl ester, (+)-
CAS No: 151602-19-6 Catalog No: AG001NGB MDL No:
Product Description
Catalog Number:
AG001NGB
Chemical Name:
Butanoic acid, 4-(acetylamino)-, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl ester, (+)-
CAS Number:
151602-19-6
Molecular Formula:
C22H19ClN4O4
Molecular Weight:
438.8637
IUPAC Name:
[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-acetamidobutanoate
InChI:
InChI=1S/C22H19ClN4O4/c1-13(28)24-12-4-7-19(29)31-22-16-6-3-2-5-15(16)21(30)27(22)18-11-9-14-8-10-17(23)25-20(14)26-18/h2-3,5-6,8-11,22H,4,7,12H2,1H3,(H,24,28)
InChI Key:
ARJSFKAHCUBBQS-UHFFFAOYSA-N
SMILES:
O=C(OC1c2ccccc2C(=O)N1c1ccc2c(n1)nc(cc2)Cl)CCCNC(=O)C
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.109g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.868g/mol
Monoisotopic Mass:
438.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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