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728886-04-2

728886-04-2 | Methanone, [4-amino-2-[(phenylmethyl)amino]-5-thiazolyl]phenyl-

CAS No: 728886-04-2 Catalog No: AG005E4L MDL No:

Product Description

Catalog Number:
AG005E4L
Chemical Name:
Methanone, [4-amino-2-[(phenylmethyl)amino]-5-thiazolyl]phenyl-
CAS Number:
728886-04-2
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
IUPAC Name:
[4-amino-2-(benzylamino)-1,3-thiazol-5-yl]-phenylmethanone
InChI:
InChI=1S/C17H15N3OS/c18-16-15(14(21)13-9-5-2-6-10-13)22-17(20-16)19-11-12-7-3-1-4-8-12/h1-10H,11,18H2,(H,19,20)
InChI Key:
ZXSFDMCCPHLEHU-UHFFFAOYSA-N
SMILES:
Nc1nc(sc1C(=O)c1ccccc1)NCc1ccccc1

Properties

Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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