Chemical ID: 7655662

c1ccc(c(c1)c2nnc(s2)NC(=O)COc3ccc(cc3Cl)Cl)Cl
Chemical ID:
7655662
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)c2nnc(s2)NC(=O)COc3ccc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl3N3O2S/c17-9-5-6-13(12(19)7-9)24-8-14(23)20-16-22-21-15(25-16)10-3-1-2-4-11(10)18/h1-7H,8H2,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,18,21,15,20,5,4,22,17,13,7,10,24,25,23,12,8,9,14,16,11/rA:25nCCCCCCCNNCSNCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl3N3O2S
All Atoms:35
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.59746
Area:614.022
Solvation:-5.75309
Coulombic:-33.2655
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.73
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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