Chemical ID: 4676530

CN(C)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
Chemical ID:
4676530
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C24H21N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3-17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,27,19,21,26,28,18,22,25,29,6,8,5,9,10,7,17,4,24,11,12,15,16,2,14,13,23/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:29nCNCCCCCCCCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s11s15;s14;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5109
Area:569.597
Solvation:-2.72906
Coulombic:-32.8156
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:399.509
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):6.54

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