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Chemical ID: 6453942

Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3cccc(c3O)OC)S2)c4ccc(c(c4)C)C

Chemical ID:

6453942

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3cccc(c3O)OC)S2)c4ccc(c(c4)C)C

InChi [?]:

InChI=1/C27H26N2O3S/c1-16-9-11-21(13-18(16)3)28-27-29(22-12-10-17(2)19(4)14-22)26(31)24(33-27)15-20-7-6-8-23(32-5)25(20)30/h6-15,30H,1-5H3

InChi Info:

AuxInfo=1/0/N:1,33,8,32,24,18,17,19,3,28,4,27,6,31,15,2,29,7,30,16,5,26,20,14,21,12,10,9,11,22,13,23,25/rA:33nCCCCCCCCNCNCOCCCCCCCCOOCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s23;s10s14;s11;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₂O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2155
Area:	623.091
Solvation:	-4.36182
Coulombic:	-48.9139

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	458.573
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.06
LogP (Chemaxon):	7.61

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