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1000356-55-7 | Spiro[piperidine-4,2'(1'H)-quinazoline]-1-carboxylic acid, 3',4'-dihydro-4'-oxo-, 1,1-dimethylethyl ester
CAS No: 1000356-55-7 Catalog No: AG0000LX MDL No:
Product Description
Catalog Number:
AG0000LX
Chemical Name:
Spiro[piperidine-4,2'(1'H)-quinazoline]-1-carboxylic acid, 3',4'-dihydro-4'-oxo-, 1,1-dimethylethyl ester
CAS Number:
1000356-55-7
Molecular Formula:
C17H23N3O3
Molecular Weight:
317.3828
IUPAC Name:
tert-butyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-10-8-17(9-11-20)18-13-7-5-4-6-12(13)14(21)19-17/h4-7,18H,8-11H2,1-3H3,(H,19,21)
InChI Key:
FMGRFCGCYQWSLF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)NC(=O)c1c(N2)cccc1)OC(C)(C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.389g/mol
Monoisotopic Mass:
317.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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