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Chemical ID: 7681526

Cc1ccccc1NC(=O)Cc2nnc(n2C)SCC(=O)Nc3cccc(c3)SC

Chemical ID:

7681526

Name [?]:

None

SMILES [?]:

Cc1ccccc1NC(=O)Cc2nnc(n2C)SCC(=O)Nc3cccc(c3)SC

InChi [?]:

InChI=1/C21H23N5O2S2/c1-14-7-4-5-10-17(14)23-19(27)12-18-24-25-21(26(18)2)30-13-20(28)22-15-8-6-9-16(11-15)29-3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,17,30,4,5,25,3,24,26,6,28,11,19,2,23,27,7,12,9,20,15,22,8,13,14,16,10,21,29,18/rA:30nCCCCCCCNCOCCNNCNCSCCONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃N₅O₂S₂
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.2286
Area:	693.412
Solvation:	-5.10668
Coulombic:	-51.1665

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.34
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