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148747-58-4 | Carbamic acid, [1,6-dihydro-6-oxo-1-(2-oxoethyl)-2-phenyl-5-pyrimidinyl]-, phenylmethyl ester (9CI)
CAS No: 148747-58-4 Catalog No: AG001L5U MDL No:
Product Description
Catalog Number:
AG001L5U
Chemical Name:
Carbamic acid, [1,6-dihydro-6-oxo-1-(2-oxoethyl)-2-phenyl-5-pyrimidinyl]-, phenylmethyl ester (9CI)
CAS Number:
148747-58-4
Molecular Formula:
C20H17N3O4
Molecular Weight:
363.3667
IUPAC Name:
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
InChI:
InChI=1S/C20H17N3O4/c24-12-11-23-18(16-9-5-2-6-10-16)21-13-17(19(23)25)22-20(26)27-14-15-7-3-1-4-8-15/h1-10,12-13H,11,14H2,(H,22,26)
InChI Key:
YHBUHBUMVBCLKV-UHFFFAOYSA-N
SMILES:
O=CCn1c(=O)c(cnc1c1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.373g/mol
Monoisotopic Mass:
363.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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