Chemical ID: 7656193

CCSc1nnc(n1c2cccc(c2)Cl)CNC(=O)COc3ccc(cc3Cl)Cl
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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