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Chemical ID: 6357350
Chemical ID:
6357350
Name [?]:
3-(4-chlorophenyl)-N-[4-(1-naphthyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc2c(c1)cccc2c3csc(n3)NC(=O)C=Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15ClN2OS/c23-17-11-8-15(9-12-17)10-13-21(26)25-22-24-20(14-27-22)19-7-3-5-16-4-1-2-6-18(16)19/h1-14H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,22,26,20,23,25,19,12,21,5,24,4,10,11,17,14,27,15,16,18,13/E:(8,9)(11,12)/rA:27nCCCCCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClN2OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9309 |
Area: | 590.586 |
Solvation: | -2.83371 |
Coulombic: | -30.5903 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.886 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.99 |
LogP (Chemaxon): | 6.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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