Chemical ID: 7353315

Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
7353315
Name [?]:
3-(2,4-dichlorophenyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H16Cl2N2OS/c1-12-3-4-15(9-13(12)2)18-11-26-20(23-18)24-19(25)8-6-14-5-7-16(21)10-17(14)22/h3-11H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,20,18,21,17,6,23,10,2,7,19,5,22,24,9,15,12,26,25,13,14,16,11/rA:26nCCCCCCCCCCSCNNCOCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16Cl2N2OS
All Atoms:42
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.9794
Area:628.399
Solvation:-2.73056
Coulombic:-29.5645
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.22
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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