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126279-29-6 | Urea, N,N'-dicyclohexyl-N'-[3-(cyclopentyloxy)-2-hydroxypropyl]-
CAS No: 126279-29-6 Catalog No: AG000SH2 MDL No:
Product Description
Catalog Number:
AG000SH2
Chemical Name:
Urea, N,N'-dicyclohexyl-N'-[3-(cyclopentyloxy)-2-hydroxypropyl]-
CAS Number:
126279-29-6
Molecular Formula:
C21H38N2O3
Molecular Weight:
366.5380
IUPAC Name:
1,3-dicyclohexyl-1-(3-cyclopentyloxy-2-hydroxypropyl)urea
InChI:
InChI=1S/C21H38N2O3/c24-19(16-26-20-13-7-8-14-20)15-23(18-11-5-2-6-12-18)21(25)22-17-9-3-1-4-10-17/h17-20,24H,1-16H2,(H,22,25)
InChI Key:
SBPADPJRULMZET-UHFFFAOYSA-N
SMILES:
OC(CN(C(=O)NC1CCCCC1)C1CCCCC1)COC1CCCC1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.288g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.546g/mol
Monoisotopic Mass:
366.288g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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