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94617-29-5 | 2-(2,7-dimethyl-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethyl hexanoate
CAS No: 94617-29-5 Catalog No: AG005WA7 MDL No:
Product Description
Catalog Number:
AG005WA7
Chemical Name:
2-(2,7-dimethyl-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethyl hexanoate
CAS Number:
94617-29-5
Molecular Formula:
C18H24N4O2S
Molecular Weight:
360.4738
IUPAC Name:
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl hexanoate
InChI:
InChI=1S/C18H24N4O2S/c1-4-5-6-7-16(23)24-9-8-15-12(2)22-11-14-10-19-13(3)20-17(14)21-18(22)25-15/h10H,4-9,11H2,1-3H3
InChI Key:
ZJDIBIOAUBFOOX-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.476g/mol
Monoisotopic Mass:
360.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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