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Chemical ID: 7140378

COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2

Chemical ID:

7140378

Name [?]:

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

SMILES [?]:

COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)S2

InChi [?]:

InChI=1/C26H23ClN2O5S/c1-31-19-9-10-20(22(14-19)32-2)28-26-29-25(30)24(35-26)13-17-6-11-21(23(12-17)33-3)34-15-16-4-7-18(27)8-5-16/h4-14H,15H2,1-3H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,10,25,29,33,19,30,32,4,5,20,23,17,8,27,28,18,31,3,6,21,7,22,16,14,12,34,11,13,15,2,9,24,26,35/E:(4,5)(7,8)/rA:35nCOCCCCCCOCNCNCOCCCCCCCCOCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClN₂O₅S
All Atoms:	58
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.367
Area:	759.358
Solvation:	-8.6169
Coulombic:	-57.7555

Bond Count [?]

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

Chemical Properties

Molecular Weight:	510.99
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.82
LogP (Chemaxon):	5.64

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