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88451-28-9 | Urea, N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N'-(2,4-dimethylphenyl)-
CAS No: 88451-28-9 Catalog No: AG004INH MDL No:
Product Description
Catalog Number:
AG004INH
Chemical Name:
Urea, N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N'-(2,4-dimethylphenyl)-
CAS Number:
88451-28-9
Molecular Formula:
C21H26N2O3
Molecular Weight:
354.4427
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(2,4-dimethylphenyl)urea
InChI:
InChI=1S/C21H26N2O3/c1-4-5-10-23(13-17-7-9-19-20(12-17)26-14-25-19)21(24)22-18-8-6-15(2)11-16(18)3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,22,24)
InChI Key:
XJTIVCLQTFHBDG-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccc2c(c1)OCO2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.45g/mol
Monoisotopic Mass:
354.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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