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Chemical ID: 7725209

c1ccc(cc1)CCNC(=O)CSc2ccc3nnc(n3n2)c4ccncc4

Chemical ID:

7725209

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCNC(=O)CSc2ccc3nnc(n3n2)c4ccncc4

InChi [?]:

InChI=1/C20H18N6OS/c27-18(22-13-8-15-4-2-1-3-5-15)14-28-19-7-6-17-23-24-20(26(17)25-19)16-9-11-21-12-10-16/h1-7,9-12H,8,13-14H2,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,16,15,7,24,28,25,27,8,12,4,23,17,10,14,20,26,9,18,19,22,21,11,13/E:(2,3)(4,5)(9,10)(11,12)/rA:28nCCCCCCCCNCOCSCCCCNNCNNCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;d14s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆OS
All Atoms:	46
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6347
Area:	622.02
Solvation:	-3.91575
Coulombic:	-37.2483

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.38
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

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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