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Chemical ID: 7656204

Cc1cccc(c1)n2c(nnc2SCc3ccc(cc3)Br)CNC(=O)c4cccs4

Chemical ID:

7656204

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)n2c(nnc2SCc3ccc(cc3)Br)CNC(=O)c4cccs4

InChi [?]:

InChI=1/C22H19BrN4OS2/c1-15-4-2-5-18(12-15)27-20(13-24-21(28)19-6-3-11-29-19)25-26-22(27)30-14-16-7-9-17(23)10-8-16/h2-12H,13-14H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,4,28,3,5,27,16,20,17,19,29,7,22,14,2,15,18,6,26,9,24,12,21,23,10,11,8,25,30,13/E:(7,8)(9,10)/rA:30nCCCCCCCNCNNCSCCCCCCCBrCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s9;s22;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉BrN₄OS₂
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	14.9008
Area:	692.095
Solvation:	-2.40153
Coulombic:	-37.7838

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.5
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value