Chemical ID: 6829107

c1ccc(cc1)N=C2N(C(=O)C(=Cc3cccc[nH+]3)S2)c4ccccc4
Chemical ID:
6829107
Name [?]:
3-phenyl-2-phenylimino-5-(1H-pyridin-2-ylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3cccc[nH+]3)S2)c4ccccc4
InChi [?]:
InChI=1/C21H15N3OS/c25-20-19(15-17-11-7-8-14-22-17)26-21(23-16-9-3-1-4-10-16)24(20)18-12-5-2-6-13-18/h1-15H/p+1
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,16,17,3,5,15,22,26,18,13,4,14,21,12,10,8,19,7,9,11,20/E:(3,4)(5,6)(9,10)(12,13)/rA:26nCCCCCCNCNCOCCCCCCCN+SCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s8s12;s9;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N3OS+
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-18.8557
Area:508.273
Solvation:-31.5626
Coulombic:-16.7514
Bond Count [?]
All:29
Single:17
Double:12
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:358.437
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):5.24

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