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1204297-22-2 | 7-Chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine
CAS No: 1204297-22-2 Catalog No: AG01FM12 MDL No:MFCD16631792
Product Description
Catalog Number:
AG01FM12
Chemical Name:
7-Chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine
CAS Number:
1204297-22-2
Molecular Formula:
C14H12ClN3OS
Molecular Weight:
305.7826
MDL Number:
MFCD16631792
IUPAC Name:
7-chloro-4-methoxy-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H12ClN3OS/c1-19-11-3-2-10(15)13-12(11)18-14(20-13)17-8-9-4-6-16-7-5-9/h2-7H,8H2,1H3,(H,17,18)
InChI Key:
VRXVPFBAHUWHCP-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCc1ccncc1)Cl
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.78g/mol
Monoisotopic Mass:
305.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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