Chemical ID: 7141314

CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7141314
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C18H14ClFN2OS/c1-2-11-3-5-12(6-4-11)9-16-17(23)22-18(24-16)21-13-7-8-15(20)14(19)10-13/h3-10H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,17,18,9,21,3,6,16,20,19,10,11,14,22,23,15,13,12,24/E:(3,4)(5,6)/rA:24nCCCCCCCCCCCONCNCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2OS
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0591
Area:552.934
Solvation:-2.76424
Coulombic:-33.5703
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:360.834
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.78
LogP (Chemaxon):5.87

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