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Home > Other Heterocycles > 1052550-30-7
1052550-30-7 | 7-{bicyclo[2.2.1]heptan-2-ylmethyl}-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS No: 1052550-30-7 Catalog No: AG019UG9 MDL No:MFCD09836989
Product Description
Catalog Number:
AG019UG9
Chemical Name:
7-{bicyclo[2.2.1]heptan-2-ylmethyl}-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CAS Number:
1052550-30-7
Molecular Formula:
C18H24N4O2S
Molecular Weight:
360.4738
MDL Number:
MFCD09836989
IUPAC Name:
7-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-methylpropyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C18H24N4O2S/c1-9(2)8-22-15-14(16(23)21-18(22)24)17(25)20-13(19-15)7-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H,19,20,25)(H,21,23,24)
InChI Key:
AOZDGYAUXZAFJW-UHFFFAOYSA-N
SMILES:
CC(Cn1c(=O)[nH]c(=O)c2c1nc(CC1CC3CC1CC3)nc2S)C
Properties
Complexity:
712
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.476g/mol
Monoisotopic Mass:
360.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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