Chemical ID: 6363243

c1ccc(c(c1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3F)F)Cl
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

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Descriptor Annotations

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