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Chemical ID: 7681435

CCn1c(nnc1SCC(=O)Nc2nnc(s2)C)COc3ccc4c(c3)CCCC4

Chemical ID:

7681435

Name [?]:

None

SMILES [?]:

CCn1c(nnc1SCC(=O)Nc2nnc(s2)C)COc3ccc4c(c3)CCCC4

InChi [?]:

InChI=1/C20H24N6O2S2/c1-3-26-17(11-28-16-9-8-14-6-4-5-7-15(14)10-16)23-25-20(26)29-12-18(27)21-19-24-22-13(2)30-19/h8-10H,3-7,11-12H2,1-2H3,(H,21,24,27)

InChi Info:

AuxInfo=1/1/N:1,18,2,29,28,30,27,23,22,26,19,9,16,24,25,21,4,10,13,7,12,15,5,14,6,3,11,20,8,17/rA:30nCCNCNNCSCCONCNNCSCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s4;s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₆O₂S₂
All Atoms:	54
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.9566
Area:	687.267
Solvation:	-5.22507
Coulombic:	-42.996

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.61
LogP (Chemaxon):	None

Name Annotations

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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