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Chemical ID: 7720546

c1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)NC5CCCCCC5

Chemical ID:

7720546

Name [?]:

None

SMILES [?]:

c1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)NC5CCCCCC5

InChi [?]:

InChI=1/C20H21N5O2S2/c26-29(27,15-10-6-3-7-11-15)20-19-22-18(21-14-8-4-1-2-5-9-14)17-16(12-13-28-17)25(19)24-23-20/h3,6-7,10-14H,1-2,4-5,8-9H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:26,27,1,25,28,2,6,24,29,3,5,19,20,23,4,15,14,13,11,10,22,12,18,17,16,8,9,21,7/E:(1,2)(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:29.6/rA:29nCCCCCCSOOCCNCCCNNNCCSNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;d10;s11;d12;s13;d14;s11s15;s16;s10d17;s15;d19;s14s20;s13;s22;s23;s24;s25;s26;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁N₅O₂S₂
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	12.4149
Area:	577.659
Solvation:	-2.02659
Coulombic:	-31.7187

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.67
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