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68060-78-6 | 1-cyclopentyl-3-(3,4,5-trimethoxyphenyl)urea
CAS No: 68060-78-6 Catalog No: AG006G95 MDL No:
Product Description
Catalog Number:
AG006G95
Chemical Name:
1-cyclopentyl-3-(3,4,5-trimethoxyphenyl)urea
CAS Number:
68060-78-6
Molecular Formula:
C15H22N2O4
Molecular Weight:
294.3462
IUPAC Name:
1-cyclopentyl-3-(3,4,5-trimethoxyphenyl)urea
InChI:
InChI=1S/C15H22N2O4/c1-19-12-8-11(9-13(20-2)14(12)21-3)17-15(18)16-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,18)
InChI Key:
HCDZCIGHGCRMNC-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)NC2CCCC2)cc(c1OC)OC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.351g/mol
Monoisotopic Mass:
294.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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