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86398-88-1 | 3-(3-CHLOROPHENYL)-1-[3-(2-METHYLPROPOXY)-2-PYRROLIDIN-1-YL-PROPYL]URE A
CAS No: 86398-88-1 Catalog No: AG004XCY MDL No:
Product Description
Catalog Number:
AG004XCY
Chemical Name:
3-(3-CHLOROPHENYL)-1-[3-(2-METHYLPROPOXY)-2-PYRROLIDIN-1-YL-PROPYL]URE A
CAS Number:
86398-88-1
Molecular Formula:
C18H28ClN3O2
Molecular Weight:
353.8868
IUPAC Name:
1-(3-chlorophenyl)-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]urea
InChI:
InChI=1S/C18H28ClN3O2/c1-14(2)12-24-13-17(22-8-3-4-9-22)11-20-18(23)21-16-7-5-6-15(19)10-16/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3,(H2,20,21,23)
InChI Key:
PMFRZMAWMDQLEY-UHFFFAOYSA-N
SMILES:
CC(COCC(N1CCCC1)CNC(=O)Nc1cccc(c1)Cl)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.187g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.891g/mol
Monoisotopic Mass:
353.187g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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