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Chemical ID: 7724867
Chemical ID:
7724867
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CSc2ccc3nnc(n3n2)c4cccs4
InChi [?]:
InChI=1/C17H12ClN5OS2/c18-11-3-1-4-12(9-11)19-15(24)10-26-16-7-6-14-20-21-17(23(14)22-16)13-5-2-8-25-13/h1-9H,10H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,24,6,2,23,15,14,25,4,11,5,3,22,16,9,13,19,7,8,17,18,21,20,10,26,12/rA:26nCCCCCCClNCOCSCCCCNNCNNCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;s17;d18;s16s19;d13s20;s19;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12ClN5OS2 |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.89 |
Area: | 595.902 |
Solvation: | -3.00751 |
Coulombic: | -33.1422 |
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: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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