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246035-38-1 | Acetic acid, 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-, methyl ester
CAS No: 246035-38-1 Catalog No: AG002OQ4 MDL No:MFCD08704788
Product Description
Catalog Number:
AG002OQ4
Chemical Name:
Acetic acid, 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-, methyl ester
CAS Number:
246035-38-1
Molecular Formula:
C15H12N4O4S3
Molecular Weight:
408.4752
MDL Number:
MFCD08704788
IUPAC Name:
methyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate
InChI:
InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)/b19-12-
InChI Key:
OAMJLTUHASKYSM-UNOMPAQXSA-N
SMILES:
COC(=O)CO/N=C(/c1csc(n1)N)\C(=O)Sc1nc2c(s1)cccc2
EC Number:
700-101-6
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
408.002g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.465g/mol
Monoisotopic Mass:
408.002g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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