Chemical ID: 7140154

COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2)OC
Chemical ID:
7140154
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2)OC
InChi [?]:
InChI=1/C18H14ClFN2O3S/c1-24-12-4-6-15(25-2)10(7-12)8-16-17(23)22-18(26-16)21-11-3-5-14(20)13(19)9-11/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,17,4,18,5,8,9,21,7,16,3,20,19,6,10,11,14,22,23,15,13,12,2,25,24/rA:26nCOCCCCCCCCCONCNCCCCCCClFSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2O3S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.04544
Area:573.25
Solvation:-5.2858
Coulombic:-45.9837
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:392.833
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):4.5

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