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7494-27-1 | Benzoic acid,4-(hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)-, ethyl ester
CAS No: 7494-27-1 Catalog No: AG005FZL MDL No:
Product Description
Catalog Number:
AG005FZL
Chemical Name:
Benzoic acid,4-(hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)-, ethyl ester
CAS Number:
7494-27-1
Molecular Formula:
C15H21N3O2
Molecular Weight:
275.3461
IUPAC Name:
ethyl 4-(3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
InChI:
InChI=1S/C15H21N3O2/c1-2-20-15(19)12-3-5-13(6-4-12)18-10-14-9-16-7-8-17(14)11-18/h3-6,14,16H,2,7-11H2,1H3
InChI Key:
BXJXIIHIVYFWFB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1CN2C(C1)CNCC2
NSC Number:
105279
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.352g/mol
Monoisotopic Mass:
275.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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