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149194-61-6 | N-(1,3-benzothiazol-2-yl)-11-hydroxy-13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaene-12-carboxamide
CAS No: 149194-61-6 Catalog No: AG00IUX2 MDL No:MFCD02083042
Product Description
Catalog Number:
AG00IUX2
Chemical Name:
N-(1,3-benzothiazol-2-yl)-11-hydroxy-13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaene-12-carboxamide
CAS Number:
149194-61-6
Molecular Formula:
C18H10N4O3S2
Molecular Weight:
394.4270
MDL Number:
MFCD02083042
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-2-hydroxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
InChI:
InChI=1S/C18H10N4O3S2/c23-14(20-17-19-9-5-1-3-7-11(9)26-17)13-15(24)21-18-22(16(13)25)10-6-2-4-8-12(10)27-18/h1-8,24H,(H,19,20,23)
InChI Key:
IQLNXGAGZCMONN-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)nc2n(c1=O)c1ccccc1s2)Nc1nc2c(s1)cccc2
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.019g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.423g/mol
Monoisotopic Mass:
394.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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