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85063-18-9 | 4(3H)-Quinazolinone,2-[(2-methylphenoxy)methyl]-3-[2-(4-morpholinyl)-2-oxoethyl]-
CAS No: 85063-18-9 Catalog No: AG004S7R MDL No:
Product Description
Catalog Number:
AG004S7R
Chemical Name:
4(3H)-Quinazolinone,2-[(2-methylphenoxy)methyl]-3-[2-(4-morpholinyl)-2-oxoethyl]-
CAS Number:
85063-18-9
Molecular Formula:
C22H23N3O4
Molecular Weight:
393.4357
IUPAC Name:
2-[(2-methylphenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)quinazolin-4-one
InChI:
InChI=1S/C22H23N3O4/c1-16-6-2-5-9-19(16)29-15-20-23-18-8-4-3-7-17(18)22(27)25(20)14-21(26)24-10-12-28-13-11-24/h2-9H,10-15H2,1H3
InChI Key:
FKVBBGBZGODPED-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)Cn1c(COc2ccccc2C)nc2c(c1=O)cccc2
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.443g/mol
Monoisotopic Mass:
393.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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