Home Halogens 10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene

10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene

CAS No.:
1803599-87-2
Catalog Number:
AG01B1LC
Molecular Formula:
C16H10ClF3N2S
Molecular Weight:
354.7772
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Product Description
Catalog Number:
AG01B1LC
Chemical Name:
10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
CAS Number:
1803599-87-2
Molecular Formula:
C16H10ClF3N2S
Molecular Weight:
354.7772
MDL Number:
MFCD28064178
IUPAC Name:
10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
InChI:
InChI=1S/C16H10ClF3N2S/c17-15-21-13(8-4-6-9(7-5-8)16(18,19)20)12-10-2-1-3-11(10)23-14(12)22-15/h4-7H,1-3H2
InChI Key:
VTAAOJXHMFOUOQ-UHFFFAOYSA-N
SMILES:
Clc1nc2sc3c(c2c(n1)c1ccc(cc1)C(F)(F)F)CCC3
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.021g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.775g/mol
Monoisotopic Mass:
354.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties