Chemical ID: 7705886

c1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
7705886
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C18H15N3O3S2/c22-16(19-13-6-7-14-15(10-13)24-9-8-23-14)11-25-18-20-17(21-26-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,25,24,22,13,4,17,20,21,14,7,9,16,8,11,15,26,23,12,10/E:(2,3)(4,5)/rA:26nCCCCCCCNCSNSCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S2
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.3668
Area:592.783
Solvation:-4.45275
Coulombic:-47.5801
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.87
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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