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136603-30-0 | Acetamide, N-[2-[4-(4-morpholinyl)-3-nitrophenyl]-4-oxo-3(4H)-quinazolinyl]-2-[4-[(2-phenyl-1,8-naphthyridin-3-yl)carbonyl]phenoxy]-
CAS No: 136603-30-0 Catalog No: AG00125D MDL No:
Product Description
Catalog Number:
AG00125D
Chemical Name:
Acetamide, N-[2-[4-(4-morpholinyl)-3-nitrophenyl]-4-oxo-3(4H)-quinazolinyl]-2-[4-[(2-phenyl-1,8-naphthyridin-3-yl)carbonyl]phenoxy]-
CAS Number:
136603-30-0
Molecular Formula:
C41H31N7O7
Molecular Weight:
733.7275
IUPAC Name:
N-[2-(4-morpholin-4-yl-3-nitrophenyl)-4-oxoquinazolin-3-yl]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
InChI:
InChI=1S/C41H31N7O7/c49-36(25-55-30-15-12-27(13-16-30)38(50)32-23-28-9-6-18-42-39(28)44-37(32)26-7-2-1-3-8-26)45-47-40(43-33-11-5-4-10-31(33)41(47)51)29-14-17-34(35(24-29)48(52)53)46-19-21-54-22-20-46/h1-18,23-24H,19-22,25H2,(H,45,49)
InChI Key:
YMLIDPFNGDUEHO-UHFFFAOYSA-N
SMILES:
O=C(Nn1c(nc2c(c1=O)cccc2)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)COc1ccc(cc1)C(=O)c1cc2cccnc2nc1c1ccccc1
Properties
Complexity:
1410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
733.228g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
733.741g/mol
Monoisotopic Mass:
733.228g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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