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Chemical ID: 6455871

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)O)OC)S2)c4ccc(cc4)CC

Chemical ID:

6455871

Name [?]:

3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]thiazolidin-4-one

SMILES [?]:

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)O)OC)S2)c4ccc(cc4)CC

InChi [?]:

InChI=1/C28H28N2O4S/c1-5-18-7-11-21(12-8-18)29-28-30(22-13-9-19(6-2)10-14-22)27(32)25(35-28)17-20-15-23(33-3)26(31)24(16-20)34-4/h7-17,31H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,35,23,26,2,34,4,8,30,32,5,7,29,33,21,17,15,3,31,16,6,28,20,18,14,19,12,10,9,11,24,13,22,25,27/E:(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(23,24)(33,34)/rA:35nCCCCCCCCNCNCOCCCCCCCCOCOOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s18;s25;s10s14;s11;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4944
Area:	664.208
Solvation:	-6.1108
Coulombic:	-56.3158

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	7
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	488.599
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.03
LogP (Chemaxon):	7.22

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value