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Chemical ID: 6363243
Chemical ID:
6363243
Name [?]:
3-(2-chlorophenyl)-N-[4-(2,4-difluorophenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc(c(c1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3F)F)Cl
InChi [?]:
InChI=1/C18H11ClF2N2OS/c19-14-4-2-1-3-11(14)5-8-17(24)23-18-22-16(10-25-18)13-7-6-12(20)9-15(13)21/h1-10H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,19,18,8,21,15,5,20,17,4,22,14,9,12,25,24,23,13,11,10,16/rA:25nCCCCCCCCCONCNCCSCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11ClF2N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86025 |
Area: | 541.909 |
Solvation: | -4.68747 |
Coulombic: | -34.635 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.05 |
LogP (Chemaxon): | 5.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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