Chemical ID: 7142716

CCCCN=C1N(C(=O)C(=Cc2ccccc2Cl)S1)CCCC
Chemical ID:
7142716
Name [?]:
3-butyl-2-butylimino-5-[(2-chlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccccc2Cl)S1)CCCC
InChi [?]:
InChI=1/C18H23ClN2OS/c1-3-5-11-20-18-21(12-6-4-2)17(22)16(23-18)13-14-9-7-8-10-15(14)19/h7-10,13H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,3,21,14,15,13,16,4,20,11,12,17,10,8,6,18,5,7,9,19/rA:23nCCCCNCNCOCCCCCCCCClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s6s10;s7;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClN2OS
All Atoms:46
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:13.0498
Area:588.749
Solvation:-1.66898
Coulombic:-27.6559
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:5.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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