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Home > Other Heterocycles > 1956426-26-8
1956426-26-8 | tert-Butyl (3-isobutyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-2-yl)carbamate
CAS No: 1956426-26-8 Catalog No: AG01CCSF MDL No:
Product Description
Catalog Number:
AG01CCSF
Chemical Name:
tert-Butyl (3-isobutyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-2-yl)carbamate
CAS Number:
1956426-26-8
Molecular Formula:
C16H28N4O3
Molecular Weight:
324.4185
IUPAC Name:
tert-butyl N-[3-(2-methylpropyl)-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-2-yl]carbamate
InChI:
InChI=1S/C16H28N4O3/c1-11(2)9-20-12(21)16(7-6-8-17-10-16)19-13(20)18-14(22)23-15(3,4)5/h11,17H,6-10H2,1-5H3,(H,18,19,22)
InChI Key:
HSHRFFFZTGESCG-UHFFFAOYSA-N
SMILES:
CC(CN1C(=NC2(C1=O)CCCNC2)NC(=O)OC(C)(C)C)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.216g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.425g/mol
Monoisotopic Mass:
324.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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