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Chemical ID: 7744643

Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4cccc(c4)C

Chemical ID:

7744643

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)Cc2c(=O)[nH]c3nnc(n3n2)SCC(=O)Nc4cccc(c4)C

InChi [?]:

InChI=1/C21H20N6O2S/c1-13-6-8-15(9-7-13)11-17-19(29)23-20-24-25-21(27(20)26-17)30-12-18(28)22-16-5-3-4-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,24,29)

InChi Info:

AuxInfo=1/1/N:1,30,26,27,25,3,7,4,6,29,8,20,2,28,5,24,9,21,10,13,16,23,12,14,15,18,17,22,11,19/E:(6,7)(8,9)/rA:30nCCCCCCCCCCONCNNCNNSCCONCCCCCCC/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₆O₂S
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.4483
Area:	651.415
Solvation:	-3.83705
Coulombic:	-54.5839

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.25
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