Chemical ID: 7139979

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
7139979
Name [?]:
5-benzylidene-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C18H16N2OS/c1-2-13-8-10-15(11-9-13)19-18-20-17(21)16(22-18)12-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,4,8,5,7,15,3,16,6,14,12,10,9,11,13,22/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9429
Area:509.67
Solvation:-1.79889
Coulombic:-31.0383
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:308.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):5.22

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