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Chemical ID: 7353315
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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