Chemical ID: 7705939

c1ccc(cc1)c2nc(sn2)SCC(=O)Nc3nc4ccccc4s3
Chemical ID:
7705939
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2nc(sn2)SCC(=O)Nc3nc4ccccc4s3
InChi [?]:
InChI=1/C17H12N4OS3/c22-14(19-16-18-12-8-4-5-9-13(12)24-16)10-23-17-20-15(21-25-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,23,13,4,19,24,14,7,17,9,18,16,8,11,15,12,25,10/E:(2,3)(6,7)/rA:25nCCCCCCCNCSNSCCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N4OS3
All Atoms:37
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.3194
Area:595.662
Solvation:-3.57212
Coulombic:-37.9661
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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