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887352-83-2 | 1-Benzyl-5-(dicyclohexylcarbodiimido)glutarate
CAS No: 887352-83-2 Catalog No: AG00467X MDL No:
Product Description
Catalog Number:
AG00467X
Chemical Name:
1-Benzyl-5-(dicyclohexylcarbodiimido)glutarate
CAS Number:
887352-83-2
Molecular Formula:
C25H36N2O4
Molecular Weight:
428.5643
IUPAC Name:
1-O-benzyl 5-O-(N,N'-dicyclohexylcarbamimidoyl) pentanedioate
InChI:
InChI=1S/C25H36N2O4/c28-23(30-19-20-11-4-1-5-12-20)17-10-18-24(29)31-25(26-21-13-6-2-7-14-21)27-22-15-8-3-9-16-22/h1,4-5,11-12,21-22H,2-3,6-10,13-19H2,(H,26,27)
InChI Key:
VFDBQYUIDOZQED-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCC(=O)OC(=NC1CCCCC1)NC1CCCCC1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.268g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.573g/mol
Monoisotopic Mass:
428.268g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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