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Chemical ID: 6168584

CN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccccc3)SC1=Nc4ccccc4

Chemical ID:

6168584

Name [?]:

5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-3-methyl-2-phenylimino-thiazolidin-4-one

SMILES [?]:

CN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccccc3)SC1=Nc4ccccc4

InChi [?]:

InChI=1/C25H22N2O3S/c1-27-24(28)23(31-25(27)26-20-11-7-4-8-12-20)16-19-13-14-21(22(15-19)29-2)30-17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,14,20,29,19,21,28,30,18,22,27,31,8,9,12,6,16,17,7,26,10,11,5,3,24,25,2,4,13,15,23/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCNCOCCCCCCCCOCOCCCCCCCSCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;d18;s19;d20;d17s21;s5;s2s23;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7965
Area:	656.453
Solvation:	-5.61486
Coulombic:	-41.3252

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.52
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.51
LogP (Chemaxon):	5.87

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