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Chemical ID: 7190160
Chemical ID:
7190160
Name [?]:
5-[(4-fluorophenyl)methyl]-2-(1H-pyridin-2-ylimino)thiazolidin-4-one
SMILES [?]:
c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C15H12FN3OS/c16-11-6-4-10(5-7-11)9-12-14(20)19-15(21-12)18-13-3-1-2-8-17-13/h1-8,12H,9H2,(H,17,18,19,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,3,14,15,18,12,5,10,8,21,4,7,9,11,13/E:(4,5)(6,7)/rA:21cCCCN+CCNCNCOCSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13FN3OS+ |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -23.5407 |
Area: | 479.97 |
Solvation: | -35.5399 |
Coulombic: | -22.6262 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.33 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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