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Chemical ID: 7705886
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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