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Chemical ID: 7720897

CCc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5cccc(c5)OC

Chemical ID:

7720897

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)S(=O)(=O)c2c3nc(c4c(n3nn2)ccs4)Nc5cccc(c5)OC

InChi [?]:

InChI=1/C22H19N5O3S2/c1-3-14-7-9-17(10-8-14)32(28,29)22-21-24-20(23-15-5-4-6-16(13-15)30-2)19-18(11-12-31-19)27(21)26-25-22/h4-13H,3H2,1-2H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,32,2,27,26,28,4,8,5,7,21,22,30,3,25,29,6,17,16,15,13,12,24,14,20,19,18,10,11,31,23,9/E:(7,8)(9,10)(28,29)/CRV:32.6/rA:32nCCCCCCCCSOOCCNCCCNNNCCSNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;d12;s13;d14;s15;d16;s13s17;s18;s12d19;s17;d21;s16s22;s15;s24;s25;d26;s27;d28;d25s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₅O₃S₂
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.1349
Area:	634.895
Solvation:	-3.73749
Coulombic:	-37.3774

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.66
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