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1088176-27-5 | N-(benzo[d]thiazol-2-ylmethyl)isobutyramide
CAS No: 1088176-27-5 Catalog No: AG01BTD8 MDL No:MFCD10654402
Product Description
Catalog Number:
AG01BTD8
Chemical Name:
N-(benzo[d]thiazol-2-ylmethyl)isobutyramide
CAS Number:
1088176-27-5
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD10654402
IUPAC Name:
N-(1,3-benzothiazol-2-ylmethyl)-2-methylpropanamide
InChI:
InChI=1S/C12H14N2OS/c1-8(2)12(15)13-7-11-14-9-5-3-4-6-10(9)16-11/h3-6,8H,7H2,1-2H3,(H,13,15)
InChI Key:
OXGZHAFQRSQVLF-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)NCc1nc2c(s1)cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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