Chemical ID: 5538470

Cc1ccc(cc1)COc2c(cc(cc2Cl)C=C3C(=O)N=C(S3)NC(=O)C)Cl
Chemical ID:
5538470
Name [?]:
N-[5-[[3,5-dichloro-4-(p-tolylmethoxy)phenyl]methylene]-4-oxo-thiazol-2-yl]acetamide
SMILES [?]:
Cc1ccc(cc1)COc2c(cc(cc2Cl)C=C3C(=O)N=C(S3)NC(=O)C)Cl
InChi [?]:
InChI=1/C20H16Cl2N2O3S/c1-11-3-5-13(6-4-11)10-27-18-15(21)7-14(8-16(18)22)9-17-19(26)24-20(28-17)23-12(2)25/h3-9H,10H2,1-2H3,(H,23,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,4,6,12,14,17,8,2,25,5,13,11,15,18,10,19,22,28,16,24,21,26,20,9,23/E:(3,4)(5,6)(7,8)(15,16)(21,22)/rA:28nCCCCCCCCOCCCCCCClCCCONCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;w17;s18;d19;s19;d21;s18s22;s22;s24;d25;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0299
Area:636.797
Solvation:-4.89001
Coulombic:-44.9537
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:435.324
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.7
LogP (Chemaxon):4.82

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Descriptor Annotations

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