Chemical ID: 7142717

CCCCN=C1N(C(=O)C(=Cc2cccc(c2)Cl)S1)CCCC
Chemical ID:
7142717
Name [?]:
3-butyl-2-butylimino-5-[(3-chlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2cccc(c2)Cl)S1)CCCC
InChi [?]:
InChI=1/C18H23ClN2OS/c1-3-5-10-20-18-21(11-6-4-2)17(22)16(23-18)13-14-8-7-9-15(19)12-14/h7-9,12-13H,3-6,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,3,21,14,13,15,4,20,17,11,12,16,10,8,6,18,5,7,9,19/rA:23nCCCCNCNCOCCCCCCCCClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s6s10;s7;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23ClN2OS
All Atoms:46
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:13.1497
Area:594.559
Solvation:-1.71427
Coulombic:-27.4888
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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