Chemical ID: 7140232

CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7140232
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C19H16ClFN2O3S/c1-3-26-15-7-4-11(8-16(15)25-2)9-17-18(24)23-19(27-17)22-12-5-6-14(21)13(20)10-12/h4-10H,3H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,20,21,5,8,12,24,7,19,23,22,4,9,13,14,17,25,26,18,16,15,10,3,27/rA:27nCCOCCCCCCOCCCCONCNCCCCCCClFS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s22;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClFN2O3S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.82959
Area:605.871
Solvation:-6.31718
Coulombic:-45.8689
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:406.859
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):4.85

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Descriptor Annotations

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