Chemical ID: 7028865

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(c(c4)Cl)Cl
Chemical ID:
7028865
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-5-(3,4-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C21H13Cl3N2O2S/c22-14-3-1-2-12(8-14)9-15-11-25-21(29-15)26-20(27)19-7-6-18(28-19)13-4-5-16(23)17(24)10-13/h1-8,10-11H,9H2,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,19,18,4,8,27,10,3,22,5,9,25,26,20,17,15,12,7,29,28,11,14,16,21,13/rA:29nCCCCCCClCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13Cl3N2O2S
All Atoms:42
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:14.0609
Area:692.019
Solvation:-3.23956
Coulombic:-38.6453
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:463.764
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):6.0

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