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Chemical ID: 7142673

Chemical ID:

7142673

Name [?]:

3-butyl-2-butylimino-5-(p-tolylmethylene)thiazolidin-4-one

SMILES [?]:

CCCCN=C1N(C(=O)C(=Cc2ccc(cc2)C)S1)CCCC

InChi [?]:

InChI=1/C19H26N2OS/c1-4-6-12-20-19-21(13-7-5-2)18(22)17(23-19)14-16-10-8-15(3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,18,2,22,3,21,14,16,13,17,4,20,11,15,12,10,8,6,5,7,9,19/E:(8,9)(10,11)/rA:23nCCCCNCNCOCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s6s10;s7;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₆N₂OS
All Atoms:	49
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	12.83
Area:	581.3
Solvation:	-1.7025
Coulombic:	-27.1783

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.92
LogP (Chemaxon):	None

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