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Chemical ID: 7656193
Chemical ID:
7656193
Name [?]:
None
SMILES [?]:
CCSc1nnc(n1c2cccc(c2)Cl)CNC(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H17Cl3N4O2S/c1-2-29-19-25-24-17(26(19)14-5-3-4-12(20)8-14)10-23-18(27)11-28-16-7-6-13(21)9-15(16)22/h3-9H,2,10-11H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,10,24,23,14,26,16,20,13,25,9,27,22,7,18,4,15,29,28,17,6,5,8,19,21,3/rA:29nCCSCNNCNCCCCCCClCNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s11;d12;d9s13;s13;s7;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17Cl3N4O2S |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0318 |
Area: | 710.489 |
Solvation: | -4.73041 |
Coulombic: | -42.1855 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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