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89078-38-6 | Urea, N,N'-bis[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS No: 89078-38-6 Catalog No: AG00406Y MDL No:
Product Description
Catalog Number:
AG00406Y
Chemical Name:
Urea, N,N'-bis[5-(1,1-dimethylethyl)-3-isoxazolyl]-
CAS Number:
89078-38-6
Molecular Formula:
C15H22N4O3
Molecular Weight:
306.3602
IUPAC Name:
1,3-bis(5-tert-butyl-1,2-oxazol-3-yl)urea
InChI:
InChI=1S/C15H22N4O3/c1-14(2,3)9-7-11(18-21-9)16-13(20)17-12-8-10(22-19-12)15(4,5)6/h7-8H,1-6H3,(H2,16,17,18,19,20)
InChI Key:
UMDOQTDANJTGJY-UHFFFAOYSA-N
SMILES:
O=C(Nc1noc(c1)C(C)(C)C)Nc1noc(c1)C(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.366g/mol
Monoisotopic Mass:
306.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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