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Home > Fluorides > 1377239-83-2
1377239-83-2 | 4H-1,3-Benzothiazin-4-one, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-8-nitro-6-(trifluoromethyl)-
CAS No: 1377239-83-2 Catalog No: AG0013RR MDL No:
Product Description
Catalog Number:
AG0013RR
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-8-nitro-6-(trifluoromethyl)-
CAS Number:
1377239-83-2
Molecular Formula:
C20H23F3N4O3S
Molecular Weight:
456.4818
IUPAC Name:
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
InChI:
InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2
InChI Key:
BJDZBXGJNBMCAV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)CC1CCCCC1)C(F)(F)F
UNII:
A3M1353L40
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.484g/mol
Monoisotopic Mass:
456.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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