Chemical ID: 7028735

c1cc(c(cc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)Cl)Cl
Chemical ID:
7028735
Name [?]:
5-(2,5-dichlorophenyl)-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C21H12Cl4N2O2S/c22-12-2-4-15(23)14(9-12)18-5-6-19(29-18)20(28)27-21-26-10-13(30-21)7-11-1-3-16(24)17(25)8-11/h1-6,8-10H,7H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,25,18,17,7,5,22,9,6,23,8,21,26,3,4,19,16,14,11,28,27,30,29,10,13,15,20,12/rA:30nCCCCCCCCCNCSNCOCCCCOCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s23;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H12Cl4N2O2S
All Atoms:42
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.459
Area:714.918
Solvation:-3.41396
Coulombic:-38.432
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:498.209
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.09
LogP (Chemaxon):6.51

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Descriptor Annotations

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