Chemical ID: 7084092

c1ccc(cc1)c2ccc(o2)C=C3C(=Nc4ccc(cc4)F)NC(=O)S3
Chemical ID:
7084092
Name [?]:
4-(4-fluorophenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
c1ccc(cc1)c2ccc(o2)C=C3C(=Nc4ccc(cc4)F)NC(=O)S3
InChi [?]:
InChI=1/C20H13FN2O2S/c21-14-6-8-15(9-7-14)22-19-18(26-20(24)23-19)12-16-10-11-17(25-16)13-4-2-1-3-5-13/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,20,17,21,9,8,12,4,19,16,10,7,13,14,24,22,15,23,25,11,26/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCCOCCCNCCCCCCFNCOS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;w12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13FN2O2S
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.19422
Area:519.577
Solvation:-3.79521
Coulombic:-39.6334
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:364.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.91
LogP (Chemaxon):4.89

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