Chemical ID: 5640043

COc1ccc(cc1O)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
5640043
Name [?]:
5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1O)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,5,4,7,10,6,17,8,3,11,12,15,16,14,9,13,2,23/E:(3,4)(5,6)/rA:23nCOCCCCCCOCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.68227
Area:519.489
Solvation:-4.30496
Coulombic:-52.4454
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):3.81

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