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1105192-38-8 | 4-Methoxy-7-methyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS No: 1105192-38-8 Catalog No: AG01ARRV MDL No:MFCD11986773
Product Description
Catalog Number:
AG01ARRV
Chemical Name:
4-Methoxy-7-methyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS Number:
1105192-38-8
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
MDL Number:
MFCD11986773
IUPAC Name:
4-methoxy-7-methyl-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H15N3OS/c1-10-5-6-12(19-2)13-14(10)20-15(18-13)17-9-11-4-3-7-16-8-11/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key:
YRJPMLYAQIYONX-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCc1cccnc1)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.365g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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