Chemical ID: 7724881

c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)Nc4ccc5c(c4)OCO5
Chemical ID:
7724881
Name [?]:
None
SMILES [?]:
c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)Nc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C18H13N5O3S2/c24-16(19-11-3-4-12-13(8-11)26-10-25-12)9-28-17-6-5-15-20-21-18(23(15)22-17)14-2-1-7-27-14/h1-8H,9-10H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,14,13,5,25,16,27,20,23,24,3,9,17,12,6,19,8,7,11,10,18,28,26,4,15/rA:28nCCCSCCNNCNNCCCSCCONCCCCCCOCO/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N5O3S2
All Atoms:41
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.3545
Area:601.25
Solvation:-4.67674
Coulombic:-47.6853
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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