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74101-17-0 | 1H-Pyrazol-5-amine,1-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-methoxyphenyl)-
CAS No: 74101-17-0 Catalog No: AG005HKE MDL No:
Product Description
Catalog Number:
AG005HKE
Chemical Name:
1H-Pyrazol-5-amine,1-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-methoxyphenyl)-
CAS Number:
74101-17-0
Molecular Formula:
C19H15BrN4OS
Molecular Weight:
427.3176
IUPAC Name:
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)pyrazol-3-amine
InChI:
InChI=1S/C19H15BrN4OS/c1-25-15-8-4-12(5-9-15)16-10-18(21)24(23-16)19-22-17(11-26-19)13-2-6-14(20)7-3-13/h2-11H,21H2,1H3
InChI Key:
HNEZTKIDMAZXRO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(c(c1)N)c1scc(n1)c1ccc(cc1)Br
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.015g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.32g/mol
Monoisotopic Mass:
426.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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