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1269524-76-6 | Imidodicarbonic acid, 2-(6-amino-2-quinazolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 1269524-76-6 Catalog No: AG000WGO MDL No:
Product Description
Catalog Number:
AG000WGO
Chemical Name:
Imidodicarbonic acid, 2-(6-amino-2-quinazolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
1269524-76-6
Molecular Formula:
C18H24N4O4
Molecular Weight:
360.4076
IUPAC Name:
tert-butyl N-(6-aminoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C18H24N4O4/c1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-20-10-11-9-12(19)7-8-13(11)21-14/h7-10H,19H2,1-6H3
InChI Key:
OIBROGMEUKPCPM-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cnc(n2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.18g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.414g/mol
Monoisotopic Mass:
360.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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