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159850-23-4 | Carbamic acid, N-(3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-quinazolinyl)-, 1,1-dimethylethyl ester
CAS No: 159850-23-4 Catalog No: AG001RGD MDL No:
Product Description
Catalog Number:
AG001RGD
Chemical Name:
Carbamic acid, N-(3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-quinazolinyl)-, 1,1-dimethylethyl ester
CAS Number:
159850-23-4
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
IUPAC Name:
tert-butyl N-(3-methyl-2,4-dioxoquinazolin-1-yl)carbamate
InChI:
InChI=1S/C14H17N3O4/c1-14(2,3)21-12(19)15-17-10-8-6-5-7-9(10)11(18)16(4)13(17)20/h5-8H,1-4H3,(H,15,19)
InChI Key:
YKIPLECXXVNFDE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nn1c(=O)n(C)c(=O)c2c1cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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