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89374-39-0 | 4H-Pyrido[3,2-e]-1,3-thiazin-4-one, 2-[(4-methylphenyl)amino]-
CAS No: 89374-39-0 Catalog No: AG003XAK MDL No:
Product Description
Catalog Number:
AG003XAK
Chemical Name:
4H-Pyrido[3,2-e]-1,3-thiazin-4-one, 2-[(4-methylphenyl)amino]-
CAS Number:
89374-39-0
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
IUPAC Name:
2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
InChI:
InChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)16-14-17-12(18)11-3-2-8-15-13(11)19-14/h2-8H,1H3,(H,16,17,18)
InChI Key:
UHVSTJKUHPUVGN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1nc(=O)c2c(s1)nccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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