Chemical ID: 7028801

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl)Cl
Chemical ID:
7028801
Name [?]:
5-(2-chlorophenyl)-N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2N2O2S/c22-14-7-5-13(6-8-14)11-15-12-24-21(28-15)25-20(26)19-10-9-18(27-19)16-3-1-2-4-17(16)23/h1-10,12H,11H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,26,23,25,8,9,20,17,21,24,18,5,4,7,10,12,15,27,28,16,14,13,11,19/E:(5,6)(7,8)/rA:28nCCCCCCCCCCOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2N2O2S
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.9817
Area:650.813
Solvation:-3.28867
Coulombic:-38.6383
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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