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303987-78-2 | N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS No: 303987-78-2 Catalog No: AG00INGM MDL No:MFCD00096955
Product Description
Catalog Number:
AG00INGM
Chemical Name:
N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CAS Number:
303987-78-2
Molecular Formula:
C14H11ClN2O4S2
Molecular Weight:
370.8311
MDL Number:
MFCD00096955
IUPAC Name:
N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
InChI:
InChI=1S/C14H11ClN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19)
InChI Key:
YSDMJNXAVNBGID-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)C1=C(O)c2sccc2N(S1(=O)=O)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.985g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.822g/mol
Monoisotopic Mass:
369.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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