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Chemical ID: 7136233

c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccc(cc4)O)S3

Chemical ID:

7136233

Name [?]:

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

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccc(cc4)O)S3

InChi [?]:

InChI=1/C23H18N2O3S/c26-19-10-8-18(9-11-19)24-23-25-22(27)21(29-23)14-16-6-12-20(13-7-16)28-15-17-4-2-1-3-5-17/h1-14,26H,15H2,(H,24,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,11,13,23,27,24,26,10,14,15,7,12,4,22,25,9,16,17,20,21,19,28,18,8,29/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCOCCCCCCCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s25;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈N₂O₃S
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4251
Area:	634.614
Solvation:	-4.44022
Coulombic:	-53.7244

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	402.467
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.31
LogP (Chemaxon):	5.59

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

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

Chemical Mix	Source	External ID	Descriptor	Value