Chemical ID: 6452773

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)c4ccc(cc4)CC
Chemical ID:
6452773
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C26H24N2O2S/c1-3-18-5-11-21(12-6-18)27-26-28(22-13-7-19(4-2)8-14-22)25(30)24(31-26)17-20-9-15-23(29)16-10-20/h5-17,29H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,30,4,8,26,28,17,21,5,7,25,29,18,20,15,3,27,16,6,24,19,14,12,10,9,11,22,13,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31nCCCCCCCCNCNCOCCCCCCCCOSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s11;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.0764
Area:603.791
Solvation:-3.01834
Coulombic:-42.8387
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:428.547
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.2
LogP (Chemaxon):7.72

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Descriptor Annotations

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