Chemical ID: 7141169

CN(C)c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
Chemical ID:
7141169
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-dimethylaminophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H21N3O3S/c1-23(2)14-7-5-13(6-8-14)11-18-19(24)22-20(27-18)21-16-10-9-15(25-3)12-17(16)26-4/h5-12H,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,24,6,8,5,9,19,18,10,21,7,4,20,17,22,11,12,15,16,14,2,13,25,23,27/E:(1,2)(5,6)(7,8)/rA:27nCNCCCCCCCCCCONCNCCCCCCOCOCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3S
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.91086
Area:603.386
Solvation:-5.1738
Coulombic:-48.7016
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:383.465
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.13
LogP (Chemaxon):4.11

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