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320423-79-8 | 4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CAS No: 320423-79-8 Catalog No: AG00IQIN MDL No:MFCD01569122
Product Description
Catalog Number:
AG00IQIN
Chemical Name:
4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CAS Number:
320423-79-8
Molecular Formula:
C15H14N2O4S3
Molecular Weight:
382.4777
MDL Number:
MFCD01569122
IUPAC Name:
4-hydroxy-N-(2-methoxyphenyl)-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carbothioamide
InChI:
InChI=1S/C15H14N2O4S3/c1-17-10-7-8-23-13(10)12(18)14(24(17,19)20)15(22)16-9-5-3-4-6-11(9)21-2/h3-8,18H,1-2H3,(H,16,22)
InChI Key:
KSAVIAILLVKGPN-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=S)C1=C(O)c2sccc2N(S1(=O)=O)C
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.012g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.467g/mol
Monoisotopic Mass:
382.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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