Chemical ID: 5139739

COc1ccccc1C=C2C(=O)NC(=Nc3ccccc3F)S2
Chemical ID:
5139739
Name [?]:
2-(2-fluorophenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)NC(=Nc3ccccc3F)S2
InChi [?]:
InChI=1/C17H13FN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,19,18,5,7,20,17,4,9,8,21,16,3,10,11,14,22,15,13,12,2,23/rA:23nCOCCCCCCCCCONCNCCCCCCFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13FN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.67698
Area:507.569
Solvation:-4.01223
Coulombic:-40.7404
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:328.362
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):4.24

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