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Home > Other Heterocycles > 1461707-84-5
1461707-84-5 | benzyl N-(3-{6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl}propyl)carbamate
CAS No: 1461707-84-5 Catalog No: AG01A697 MDL No:MFCD25371749
Product Description
Catalog Number:
AG01A697
Chemical Name:
benzyl N-(3-{6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl}propyl)carbamate
CAS Number:
1461707-84-5
Molecular Formula:
C17H21N3O4
Molecular Weight:
331.3663
MDL Number:
MFCD25371749
IUPAC Name:
benzyl N-[3-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)propyl]carbamate
InChI:
InChI=1S/C17H21N3O4/c21-14-17(8-4-9-17)19-15(22)20(14)11-5-10-18-16(23)24-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,23)(H,19,22)
InChI Key:
SJHQWEIRFGOPLY-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCCN1C(=O)NC2(C1=O)CCC2
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.372g/mol
Monoisotopic Mass:
331.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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