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Home > Pyridines > 106515-31-5
106515-31-5 | pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
CAS No: 106515-31-5 Catalog No: AG00J48Q MDL No:MFCD14280387
Product Description
Catalog Number:
AG00J48Q
Chemical Name:
pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
CAS Number:
106515-31-5
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
MDL Number:
MFCD14280387
IUPAC Name:
5H-pyrido[2,3-b][1,4]benzothiazepin-6-one
InChI:
InChI=1S/C12H8N2OS/c15-11-8-4-1-2-6-10(8)16-12-9(14-11)5-3-7-13-12/h1-7H,(H,14,15)
InChI Key:
FTMBGAIUQQPJDQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2cccnc2Sc2c1cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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