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Chemical ID: 7724857
Chemical ID:
7724857
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C18H15N5OS2/c1-12-5-2-3-6-13(12)19-16(24)11-26-17-9-8-15-20-21-18(23(15)22-17)14-7-4-10-25-14/h2-10H,11H2,1H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,4,5,24,3,6,23,15,14,25,11,2,7,22,16,9,13,19,8,17,18,21,20,10,26,12/rA:26nCCCCCCCNCOCSCCCCNNCNNCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;d18;s16s19;d13s20;s19;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N5OS2 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3471 |
Area: | 576.378 |
Solvation: | -3.06235 |
Coulombic: | -32.9539 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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