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478258-51-4 | 3-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]-1-phenylurea
CAS No: 478258-51-4 Catalog No: AG00IYZE MDL No:MFCD02082336
Product Description
Catalog Number:
AG00IYZE
Chemical Name:
3-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]-1-phenylurea
CAS Number:
478258-51-4
Molecular Formula:
C20H15N3OS
Molecular Weight:
345.4176
MDL Number:
MFCD02082336
IUPAC Name:
1-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-phenylurea
InChI:
InChI=1S/C20H15N3OS/c24-19(21-17-8-2-1-3-9-17)23-20-22-18(13-25-20)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H,(H2,21,22,23,24)
InChI Key:
CBWOJJPAZIPZFW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1scc(n1)c1ccc2c(c1)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.42g/mol
Monoisotopic Mass:
345.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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