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887590-92-3 | 1H-Indazole-1-carboxylicacid, 6-amino-3-(1-azetidinylmethyl)-, 1,1-dimethylethyl ester
CAS No: 887590-92-3 Catalog No: AG004BKV MDL No:
Product Description
Catalog Number:
AG004BKV
Chemical Name:
1H-Indazole-1-carboxylicacid, 6-amino-3-(1-azetidinylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
887590-92-3
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
IUPAC Name:
tert-butyl 6-amino-3-(azetidin-1-ylmethyl)indazole-1-carboxylate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-14-9-11(17)5-6-12(14)13(18-20)10-19-7-4-8-19/h5-6,9H,4,7-8,10,17H2,1-3H3
InChI Key:
VQFWWFZWWFTKIV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)n(nc2CN1CCC1)C(=O)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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