Chemical ID: 7142730

CCCCN=C1N(C(=O)C(=Cc2cccc3c2cccc3)S1)CCCC
Chemical ID:
7142730
Name [?]:
3-butyl-2-butylimino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2cccc3c2cccc3)S1)CCCC
InChi [?]:
InChI=1/C22H26N2OS/c1-3-5-14-23-22-24(15-6-4-2)21(25)20(26-22)16-18-12-9-11-17-10-7-8-13-19(17)18/h7-13,16H,3-6,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,3,24,20,19,14,21,15,13,18,4,23,11,16,12,17,10,8,6,5,7,9,22/rA:26nCCCCNCNCOCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s6s10;s7;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2OS
All Atoms:52
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:13.2844
Area:612.914
Solvation:-2.03847
Coulombic:-27.8738
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.75
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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