Chemical ID: 7004332

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
Chemical ID:
7004332
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-3-8-15(12(2)9-11)20-18-21-17(22)16(23-18)10-13-4-6-14(19)7-5-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,21,18,20,4,7,15,2,6,16,19,5,14,12,10,22,9,11,13,23/E:(4,5)(6,7)/rA:23nCCCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2OS
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.239
Area:514.502
Solvation:-2.62354
Coulombic:-33.4969
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:326.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):5.43

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Experimental Annotations

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Descriptor Annotations

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