Chemical ID: 4647694

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3Cl)S2)C4CCCC4
Chemical ID:
4647694
Name [?]:
5-[(2-chlorophenyl)methylene]-3-cyclopentyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3Cl)S2)C4CCCC4
InChi [?]:
InChI=1/C21H19ClN2OS/c22-18-13-7-4-8-15(18)14-19-20(25)24(17-11-5-6-12-17)21(26-19)23-16-9-2-1-3-10-16/h1-4,7-10,13-14,17H,5-6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,24,25,17,15,3,5,23,26,18,13,14,4,22,19,12,10,8,20,7,9,11,21/E:(2,3)(5,6)(9,10)(11,12)/rA:26nCCCCCCNCNCOCCCCCCCCClSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s9;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClN2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0285
Area:545.004
Solvation:-1.59657
Coulombic:-28.0528
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:382.907
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):6.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue