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313233-60-2 | N-[4-(6-Methyl-benzothiazol-2-yl)-phenyl]-succinamic acid
CAS No: 313233-60-2 Catalog No: AG01F7CU MDL No:
Product Description
Catalog Number:
AG01F7CU
Chemical Name:
N-[4-(6-Methyl-benzothiazol-2-yl)-phenyl]-succinamic acid
CAS Number:
313233-60-2
Molecular Formula:
C18H16N2O3S
Molecular Weight:
340.3962
IUPAC Name:
4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid
InChI:
InChI=1S/C18H16N2O3S/c1-11-2-7-14-15(10-11)24-18(20-14)12-3-5-13(6-4-12)19-16(21)8-9-17(22)23/h2-7,10H,8-9H2,1H3,(H,19,21)(H,22,23)
InChI Key:
RVPPKPDANXARLG-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.397g/mol
Monoisotopic Mass:
340.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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