Chemical ID: 4601422

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)c4ccccc4
Chemical ID:
4601422
Name [?]:
5-[(2-hydroxyphenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)c4ccccc4
InChi [?]:
InChI=1/C22H16N2O2S/c25-19-14-8-7-9-16(19)15-20-21(26)24(18-12-5-2-6-13-18)22(27-20)23-17-10-3-1-4-11-17/h1-15,25H
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,16,17,15,3,5,23,27,18,13,14,4,22,19,12,10,8,7,9,20,11,21/E:(3,4)(5,6)(10,11)(12,13)/rA:27nCCCCCCNCNCOCCCCCCCCOSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.225
Area:519.805
Solvation:-2.77015
Coulombic:-43.1456
Bond Count [?]
All:30
Single:18
Double:12
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:372.441
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.39
LogP (Chemaxon):6.0

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