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143915-83-7 | Imidazo[1,5-a]pyrimidin-4(1H)-one, 8-chloro-6-pentadecyl-
CAS No: 143915-83-7 Catalog No: AG001ILN MDL No:
Product Description
Catalog Number:
AG001ILN
Chemical Name:
Imidazo[1,5-a]pyrimidin-4(1H)-one, 8-chloro-6-pentadecyl-
CAS Number:
143915-83-7
Molecular Formula:
C21H34ClN3O
Molecular Weight:
379.9672
IUPAC Name:
8-chloro-6-pentadecyl-1H-imidazo[1,5-a]pyrimidin-4-one
InChI:
InChI=1S/C21H34ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(22)21-23-17-16-19(26)25(18)21/h16-17,23H,2-15H2,1H3
InChI Key:
DLTMDLFALRWXLQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1nc(c2n1c(=O)cc[nH]2)Cl
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.239g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.973g/mol
Monoisotopic Mass:
379.239g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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