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72814-29-0 | 4-Imidazolidineheptanoicacid, 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-, ethyl ester
CAS No: 72814-29-0 Catalog No: AG005OP7 MDL No:
Product Description
Catalog Number:
AG005OP7
Chemical Name:
4-Imidazolidineheptanoicacid, 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-, ethyl ester
CAS Number:
72814-29-0
Molecular Formula:
C21H36N2O5
Molecular Weight:
396.5209
IUPAC Name:
ethyl 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoate
InChI:
InChI=1S/C21H36N2O5/c1-2-28-19(25)13-9-4-3-8-12-17-20(26)22-21(27)23(17)15-14-18(24)16-10-6-5-7-11-16/h16-18,24H,2-15H2,1H3,(H,22,26,27)
InChI Key:
XLZWPJLGBYQJNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O
EC Number:
276-865-5
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.528g/mol
Monoisotopic Mass:
396.262g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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