Chemical ID: 7189971

c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3cccc(c3)C(F)(F)F
Chemical ID:
7189971
Name [?]:
2-(1H-pyridin-2-ylimino)-5-[[3-(trifluoromethyl)phenyl]methyl]thiazolidin-4-one
SMILES [?]:
c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-12-14(23)22-15(24-12)21-13-6-1-2-7-20-13/h1-8,12H,9H2,(H,20,21,22,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,6,3,20,14,15,19,12,5,10,8,21,22,23,24,4,7,9,11,13/E:(17,18,19)/rA:24cCCCN+CCNCNCOCSCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13F3N3OS+
All Atoms:37
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-22.4308
Area:517.657
Solvation:-35.3722
Coulombic:-37.8095
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:352.355
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):4.66

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Descriptor Annotations

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