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Chemical ID: 6399994
Chemical ID:
6399994
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H14Cl2N2O2S/c1-25-14-6-2-12(3-7-14)4-9-18(24)23-19-22-17(11-26-19)15-8-5-13(20)10-16(15)21/h2-11H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,21,4,8,20,10,23,17,6,22,3,19,24,16,11,14,26,25,15,13,12,2,18/E:(2,3)(6,7)/rA:26nCOCCCCCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6499 |
Area: | 594.107 |
Solvation: | -4.2028 |
Coulombic: | -35.4854 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.26 |
LogP (Chemaxon): | 5.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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