Chemical ID: 7028925

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)Cl
Chemical ID:
7028925
Name [?]:
5-(3-chlorophenyl)-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-15-5-1-3-13(9-15)10-17-12-24-21(28-17)25-20(26)19-8-7-18(27-19)14-4-2-6-16(23)11-14/h1-9,11-12H,10H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,6,25,19,18,4,8,27,10,3,22,5,26,9,20,17,15,12,7,28,11,14,16,21,13/rA:28nCCCCCCClCCCNCSNCOCCCCOCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.4776
Area:664.605
Solvation:-3.13757
Coulombic:-38.694
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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Descriptor Annotations

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