Chemical ID: 7028799

c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccccc4Cl)Cl
Chemical ID:
7028799
Name [?]:
5-(2-chlorophenyl)-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccccc4Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-16-7-3-1-5-13(16)11-14-12-24-21(28-14)25-20(26)19-10-9-18(27-19)15-6-2-4-8-17(15)23/h1-10,12H,11H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,2,24,6,22,3,25,18,17,7,9,5,8,21,4,26,19,16,14,11,28,27,10,13,15,20,12/rA:28nCCCCCCCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.5032
Area:631.383
Solvation:-3.28137
Coulombic:-38.7036
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.32
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):5.48

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