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129750-91-0 | 5-Pyrimidineacetic acid, 1,3-dicyclohexylhexahydro-α-methyl-5-(4-morpholinylmethyl)-2,4,6-trioxo-
CAS No: 129750-91-0 Catalog No: AG000TMU MDL No:
Product Description
Catalog Number:
AG000TMU
Chemical Name:
5-Pyrimidineacetic acid, 1,3-dicyclohexylhexahydro-α-methyl-5-(4-morpholinylmethyl)-2,4,6-trioxo-
CAS Number:
129750-91-0
Molecular Formula:
C24H37N3O6
Molecular Weight:
463.5671
IUPAC Name:
morpholin-4-ylmethyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
InChI:
InChI=1S/C24H37N3O6/c1-17(23(30)33-16-25-12-14-32-15-13-25)20-21(28)26(18-8-4-2-5-9-18)24(31)27(22(20)29)19-10-6-3-7-11-19/h17-20H,2-16H2,1H3
InChI Key:
YVHRNTICSJDWJI-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1(CN2CCOCC2)C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1)C
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.268g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.575g/mol
Monoisotopic Mass:
463.268g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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