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Chemical ID: 6877543
Chemical ID:
6877543
Name [?]:
3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2O2S/c1-24-16-9-5-14(6-10-16)17-12-25-19(21-17)22-18(23)11-4-13-2-7-15(20)8-3-13/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,24,18,5,7,21,23,4,8,17,10,19,6,22,3,9,15,12,25,13,14,16,2,11/E:(2,3)(5,6)(7,8)(9,10)/rA:25nCOCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O2S |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3215 |
Area: | 574.278 |
Solvation: | -4.03545 |
Coulombic: | -35.8781 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.853 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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