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211172-77-9 | Phosphoric acid, 1,4-dihydro-2-methyl-4-oxo-8-quinazolinyl bis(phenylmethyl) ester (9CI)
CAS No: 211172-77-9 Catalog No: AG002L6X MDL No:
Product Description
Catalog Number:
AG002L6X
Chemical Name:
Phosphoric acid, 1,4-dihydro-2-methyl-4-oxo-8-quinazolinyl bis(phenylmethyl) ester (9CI)
CAS Number:
211172-77-9
Molecular Formula:
C23H21N2O5P
Molecular Weight:
436.3970
IUPAC Name:
dibenzyl (2-methyl-4-oxo-3H-quinazolin-8-yl) phosphate
InChI:
InChI=1S/C23H21N2O5P/c1-17-24-22-20(23(26)25-17)13-8-14-21(22)30-31(27,28-15-18-9-4-2-5-10-18)29-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,24,25,26)
InChI Key:
RLQRYCFNFRARNW-UHFFFAOYSA-N
SMILES:
Cc1nc(=O)c2c([nH]1)c(ccc2)OP(=O)(OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.119g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.404g/mol
Monoisotopic Mass:
436.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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