Chemical ID: 6489845

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(F)(F)F)S2
Chemical ID:
6489845
Name [?]:
2-phenylimino-5-[[4-(trifluoromethyl)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(F)(F)F)S2
InChi [?]:
InChI=1/C17H11F3N2OS/c18-17(19,20)12-8-6-11(7-9-12)10-14-15(23)22-16(24-14)21-13-4-2-1-3-5-13/h1-10H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,13,14,17,4,12,10,8,20,21,22,23,7,9,11,24/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:24nCCCCCCNCNCOCCCCCCCCCFFFS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2942
Area:511.366
Solvation:-2.48999
Coulombic:-48.9935
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:348.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):5.23

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Descriptor Annotations

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