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Chemical ID: 7668690

c1cc(cnc1)C2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N

Chemical ID:

7668690

Name [?]:

None

SMILES [?]:

c1cc(cnc1)C2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N

InChi [?]:

InChI=1/C20H15ClN6OS/c21-13-5-3-11(4-6-13)10-29-20-26-17(23)16-15(12-2-1-7-25-9-12)14(8-22)18(24)28-19(16)27-20/h1-7,9,15H,10,24H2,(H2,23,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,23,27,24,26,6,17,4,21,22,3,25,16,7,8,9,15,13,11,28,18,29,19,5,10,12,14,20/E:(3,4)(5,6)/rA:29cCCCCNCCCCNCNCOCCCNNSCCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s10;d11;d8s12;s13;s14;s7d15;s16;t17;s15;s11;s20;s21;s22;d23;s24;d25;d22s26;s25;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅ClN₆OS
All Atoms:	44
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.7421
Area:	620.93
Solvation:	-3.78111
Coulombic:	-61.1021

Bond Count [?]

All:	32
Single:	21
Double:	10
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.28
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