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477860-31-4 | 4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carbothioamide
CAS No: 477860-31-4 Catalog No: AG00INQ7 MDL No:MFCD02082114
Product Description
Catalog Number:
AG00INQ7
Chemical Name:
4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carbothioamide
CAS Number:
477860-31-4
Molecular Formula:
C17H16N2O4S2
Molecular Weight:
376.4499
MDL Number:
MFCD02082114
IUPAC Name:
4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carbothioamide
InChI:
InChI=1S/C17H16N2O4S2/c1-19-13-9-5-3-7-11(13)15(20)16(25(19,21)22)17(24)18-12-8-4-6-10-14(12)23-2/h3-10,20H,1-2H3,(H,18,24)
InChI Key:
USGFHJIKJYWWPQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=S)C1=C(O)c2ccccc2N(S1(=O)=O)C
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.055g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.445g/mol
Monoisotopic Mass:
376.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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