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Chemical ID: 7315938

CC=Cc1ccc(c(c1)OC)OCC(=O)NCCN2C(=O)C(=Cc3ccccc3)SC2=O

Chemical ID:

7315938

Name [?]:

N-[2-(5-benzylidene-2,4-dioxo-thiazolidin-3-yl)ethyl]-2-(2-methoxy-4-prop-1-enyl-phenoxy)-acetamide

SMILES [?]:

CC=Cc1ccc(c(c1)OC)OCC(=O)NCCN2C(=O)C(=Cc3ccccc3)SC2=O

InChi [?]:

InChI=1/C24H24N2O5S/c1-3-7-17-10-11-19(20(14-17)30-2)31-16-22(27)25-12-13-26-23(28)21(32-24(26)29)15-18-8-5-4-6-9-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,11,2,27,26,28,3,25,29,5,6,17,18,9,23,13,4,24,7,8,22,14,20,31,16,19,15,21,32,10,12,30/E:(5,6)(8,9)/rA:32nCCCCCCCCCOCOCCONCCNCOCCCCCCCCSCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;s17;s18;s19;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;s22;s19s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₅S
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3309
Area:	723.708
Solvation:	-7.76177
Coulombic:	-64.7878

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.524
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.58
LogP (Chemaxon):	3.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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