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Chemical ID: 7721312

c1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)N5CCCC5

Chemical ID:

7721312

Name [?]:

None

SMILES [?]:

c1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)N5CCCC5

InChi [?]:

InChI=1/C17H15N5O2S2/c23-26(24,12-6-2-1-3-7-12)17-16-18-15(21-9-4-5-10-21)14-13(8-11-25-14)22(16)20-19-17/h1-3,6-8,11H,4-5,9-10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,24,25,3,5,19,23,26,20,4,15,14,13,11,10,12,18,17,22,16,8,9,21,7/E:(2,3)(4,5)(6,7)(9,10)(23,24)/CRV:26.6/rA:26nCCCCCCSOOCCNCCCNNNCCSNCCCC/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;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅N₅O₂S₂
All Atoms:	41
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1105
Area:	535.3
Solvation:	-2.27203
Coulombic:	-25.521

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.35
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