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Chemical ID: 6449983

Chemical ID:

6449983

Name [?]:

2-[1-(4-nonoxyphenyl)ethylideneaminoimino]thiazolidin-4-one

SMILES [?]:

CCCCCCCCCOc1ccc(cc1)C(=NN=C2NC(=O)CS2)C

InChi [?]:

InChI=1/C20H29N3O2S/c1-3-4-5-6-7-8-9-14-25-18-12-10-17(11-13-18)16(2)22-23-20-21-19(24)15-26-20/h10-13H,3-9,14-15H2,1-2H3,(H,21,23,24)

InChi Info:

AuxInfo=1/1/N:1,26,2,3,4,5,6,7,8,13,15,12,16,9,24,17,14,11,22,20,21,18,19,23,10,25/E:(10,11)(12,13)/rA:26nCCCCCCCCCOCCCCCCCNNCNCOCSC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;w19;s20;s21;d22;s22;s20s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₉N₃O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3312
Area:	667.383
Solvation:	-3.35343
Coulombic:	-34.3167

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	11
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	375.529
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.56
LogP (Chemaxon):	3.74

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

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Chemical Mix	Source	External ID	Descriptor	Value