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313226-11-8 | Methyl 4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
CAS No: 313226-11-8 Catalog No: AG01FMGF MDL No:MFCD01460314
Product Description
Catalog Number:
AG01FMGF
Chemical Name:
Methyl 4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
CAS Number:
313226-11-8
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
MDL Number:
MFCD01460314
IUPAC Name:
methyl 4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzoate
InChI:
InChI=1S/C12H10N2O3S/c1-17-11(16)8-4-2-7(3-5-8)6-9-10(15)14-12(13)18-9/h2-6H,1H3,(H2,13,14,15)/b9-6-
InChI Key:
RVPDAFREEZSBDU-TWGQIWQCSA-N
SMILES:
COC(=O)c1ccc(cc1)/C=C/1\SC(=NC1=O)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
262.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.283g/mol
Monoisotopic Mass:
262.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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