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Chemical ID: 7656172

CCCCSc1nnc(n1c2ccc(cc2)Br)CNC(=O)c3c(cccc3Cl)F

Chemical ID:

7656172

Name [?]:

None

SMILES [?]:

CCCCSc1nnc(n1c2ccc(cc2)Br)CNC(=O)c3c(cccc3Cl)F

InChi [?]:

InChI=1/C20H19BrClFN4OS/c1-2-3-11-29-20-26-25-17(27(20)14-9-7-13(21)8-10-14)12-24-19(28)18-15(22)5-4-6-16(18)23/h4-10H,2-3,11-12H2,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,3,25,26,24,13,15,12,16,4,18,14,11,27,23,9,22,20,6,17,28,29,19,8,7,10,21,5/E:(7,8)(9,10)/rA:29nCCCCSCNNCNCCCCCCBrCNCOCCCCCCClF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉BrClFN₄OS
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	13.646
Area:	676.057
Solvation:	-3.25546
Coulombic:	-39.4255

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.66
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