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Chemical ID: 6455920

CCOc1cccc(c1O)C=C2C(=O)N(C(=Nc3cccc(c3)C)S2)c4cccc(c4)C

Chemical ID:

6455920

Name [?]:

5-[(3-ethoxy-2-hydroxy-phenyl)methylene]-3-(m-tolyl)-2-(m-tolylimino)thiazolidin-4-one

SMILES [?]:

CCOc1cccc(c1O)C=C2C(=O)N(C(=Nc3cccc(c3)C)S2)c4cccc(c4)C

InChi [?]:

InChI=1/C26H24N2O3S/c1-4-31-22-13-7-10-19(24(22)29)16-23-25(30)28(21-12-6-9-18(3)15-21)26(32-23)27-20-11-5-8-17(2)14-20/h5-16,29H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,32,2,20,28,6,21,29,7,19,27,5,23,31,11,22,30,8,18,26,4,12,9,13,16,17,15,10,14,3,25/rA:32nCCOCCCCCCOCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;s15;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2915
Area:	620.85
Solvation:	-4.22975
Coulombic:	-49.703

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	444.546
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.61
LogP (Chemaxon):	7.02

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value