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89402-77-7 | 5-Thiazoleacetic acid, 2-(2-benzothiazolylamino)-4-(4-methoxyphenyl)-
CAS No: 89402-77-7 Catalog No: AG003VYN MDL No:
Product Description
Catalog Number:
AG003VYN
Chemical Name:
5-Thiazoleacetic acid, 2-(2-benzothiazolylamino)-4-(4-methoxyphenyl)-
CAS Number:
89402-77-7
Molecular Formula:
C19H15N3O3S2
Molecular Weight:
397.4707
IUPAC Name:
2-[2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C19H15N3O3S2/c1-25-12-8-6-11(7-9-12)17-15(10-16(23)24)27-19(21-17)22-18-20-13-4-2-3-5-14(13)26-18/h2-9H,10H2,1H3,(H,23,24)(H,20,21,22)
InChI Key:
UMXMXKLKLDHYIK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(sc1CC(=O)O)Nc1nc2c(s1)cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.055g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.467g/mol
Monoisotopic Mass:
397.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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