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Chemical ID: 7744655

Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4ccc(cc4C)C

Chemical ID:

7744655

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4ccc(cc4C)C

InChi [?]:

InChI=1/C22H22N6O2S/c1-13-4-7-16(8-5-13)11-18-20(30)24-21-25-26-22(28(21)27-18)31-12-19(29)23-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,25,30)

InChi Info:

AuxInfo=1/1/N:1,31,30,3,7,26,4,6,25,28,8,20,2,27,29,5,24,9,21,10,13,16,23,12,14,15,18,17,22,11,19/E:(4,5)(7,8)/rA:31nCCCCCCCCCCONCNNCNNSCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;d9s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₆O₂S
All Atoms:	53
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	12.9698
Area:	670.867
Solvation:	-3.80189
Coulombic:	-54.5189

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.48
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