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39853-58-2 | 2,2-DIMETHYL-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE
CAS No: 39853-58-2 Catalog No: AG0076VM MDL No:MFCD00096792
Product Description
Catalog Number:
AG0076VM
Chemical Name:
2,2-DIMETHYL-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE
CAS Number:
39853-58-2
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
MDL Number:
MFCD00096792
IUPAC Name:
2,2-dimethyl-3,10-dihydro-1H-phenothiazin-4-one
InChI:
InChI=1S/C14H15NOS/c1-14(2)7-10-13(11(16)8-14)17-12-6-4-3-5-9(12)15-10/h3-6,15H,7-8H2,1-2H3
InChI Key:
KVFVBTRWHZAXNS-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1Sc1ccccc1N2
NSC Number:
688510
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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