Chemical ID: 6403102

CCOc1ccc(cc1Cl)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
Chemical ID:
6403102
Name [?]:
5-[(3-chloro-4-ethoxy-phenyl)methylene]-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1Cl)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
InChi [?]:
InChI=1/C18H14ClFN2O2S/c1-2-24-15-8-3-11(9-14(15)19)10-16-17(23)22-18(25-16)21-13-6-4-12(20)5-7-13/h3-10H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,22,19,23,5,8,11,7,21,18,9,4,12,13,16,10,24,17,15,14,3,25/E:(4,5)(6,7)/rA:25nCCOCCCCCCClCCCONCNCCCCCCFS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0871
Area:570.16
Solvation:-4.16687
Coulombic:-40.0509
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:376.833
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):5.1

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