Chemical ID: 7028926

c1cc(cc(c1)Cl)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
Chemical ID:
7028926
Name [?]:
5-(3-chlorophenyl)-N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-15-6-4-13(5-7-15)10-17-12-24-21(28-17)25-20(26)19-9-8-18(27-19)14-2-1-3-16(23)11-14/h1-9,11-12H,10H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,27,24,26,9,10,21,4,18,22,3,25,5,19,8,11,13,16,28,7,17,15,14,12,20/E:(4,5)(6,7)/rA:28nCCCCCCClCCCCOCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.4897
Area:665.207
Solvation:-3.14049
Coulombic:-38.6814
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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