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Chemical ID: 7140033

Chemical ID:

7140033

Name [?]:

5-[(4-hydroxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one

SMILES [?]:

COc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)O)S2

InChi [?]:

InChI=1/C17H14N2O3S/c1-22-14-5-3-2-4-13(14)18-17-19-16(21)15(23-17)10-11-6-8-12(20)9-7-11/h2-10,20H,1H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,17,21,18,20,15,16,19,8,3,14,12,10,9,11,22,13,2,23/E:(6,7)(8,9)/rA:23nCOCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄N₂O₃S
All Atoms:	37
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.44684
Area:	516.804
Solvation:	-4.47326
Coulombic:	-52.3294

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	326.371
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.6
LogP (Chemaxon):	3.81

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