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Chemical ID: 7725057

Cc1cc(c(c(c1)C)NC(=O)CSc2ccc3nnc(n3n2)c4cccnc4)C

Chemical ID:

7725057

Name [?]:

None

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)CSc2ccc3nnc(n3n2)c4cccnc4)C

InChi [?]:

InChI=1/C21H20N6OS/c1-13-9-14(2)20(15(3)10-13)23-18(28)12-29-19-7-6-17-24-25-21(27(17)26-19)16-5-4-8-22-11-16/h4-11H,12H2,1-3H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,8,29,25,24,16,15,26,7,3,28,12,2,6,4,23,17,10,14,5,20,27,9,18,19,22,21,11,13/E:(2,3)(9,10)(14,15)/rA:29nCCCCCCCCNCOCSCCCCNNCNNCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;s18;d19;s17s20;d14s21;s20;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₆OS
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.7865
Area:	617.522
Solvation:	-3.65158
Coulombic:	-35.8058

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.96
LogP (Chemaxon):	None

Name Annotations

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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