Chemical ID: 7141156

C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7141156
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(3-chloro-4-fluoro-phenyl)imino-thiazolidin-4-one
SMILES [?]:
C=CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C19H14ClFN2O2S/c1-2-9-25-14-6-3-12(4-7-14)10-17-18(24)23-19(26-17)22-13-5-8-16(21)15(20)11-13/h2-8,10-11H,1,9H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,19,6,10,20,3,11,23,8,18,5,22,21,12,13,16,24,25,17,15,14,4,26/E:(3,4)(6,7)/rA:26nCCCOCCCCCCCCCONCNCCCCCCClFS/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClFN2O2S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6573
Area:592.273
Solvation:-4.14948
Coulombic:-41.5352
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:388.844
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):5.5

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Descriptor Annotations

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