Chemical ID: 6468866

CCN1C(=O)C(=Cc2ccc(o2)C)SC1=Nc3ccc(cc3)OC
Chemical ID:
6468866
Name [?]:
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methyl-2-furyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(o2)C)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C18H18N2O3S/c1-4-20-17(21)16(11-15-8-5-12(2)23-15)24-18(20)19-13-6-9-14(22-3)10-7-13/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,24,2,10,18,22,9,19,21,7,11,17,20,8,6,4,15,16,3,5,23,12,14/E:(6,7)(9,10)/rA:24nCCNCOCCCCCCOCSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;d8;s9;d10;s8s11;s11;s6;s3s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.40901
Area:519.306
Solvation:-4.57363
Coulombic:-35.6957
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:342.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):3.65

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