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Chemical ID: 7207121

CCOc1cc(ccc1OCC(=O)[O-])C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2

Chemical ID:

7207121

Name [?]:

2-[2-ethoxy-4-[[2-(1-naphthylimino)-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetate

SMILES [?]:

CCOc1cc(ccc1OCC(=O)[O-])C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2

InChi [?]:

InChI=1/C24H20N2O5S/c1-2-30-20-12-15(10-11-19(20)31-14-22(27)28)13-21-23(29)26-24(32-21)25-18-9-5-7-16-6-3-4-8-17(16)18/h3-13H,2,14H2,1H3,(H,27,28)(H,25,26,29)/p-1

InChi Info:

AuxInfo=1/1/N:1,2,30,29,24,31,25,28,23,7,8,5,15,11,6,26,27,22,9,4,16,12,17,20,21,19,13,14,18,3,10,32/E:(27,28)/rA:32nCCOCCCCCCOCCOO-CCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s6;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉N₂O₅S-
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	-32.952
Area:	676.541
Solvation:	-49.8656
Coulombic:	-42.727

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	447.484
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.24
LogP (Chemaxon):	4.24

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

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

Chemical Mix	Source	External ID	Descriptor	Value