Chemical ID: 7028809

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccccc4Cl
Chemical ID:
7028809
Name [?]:
N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-(2-chlorophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccccc4Cl
InChi [?]:
InChI=1/C22H16Cl2N2O2S/c1-13-6-7-14(11-18(13)24)10-15-12-25-22(29-15)26-21(27)20-9-8-19(28-20)16-4-2-3-5-17(16)23/h2-9,11-12H,10H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,27,3,4,20,19,9,6,11,2,5,10,23,28,7,21,18,16,13,29,8,12,15,17,22,14/rA:29nCCCCCCCClCCCNCSNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16Cl2N2O2S
All Atoms:45
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.4098
Area:666.512
Solvation:-3.25303
Coulombic:-38.5396
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:443.346
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):5.94

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