Chemical ID: 6467934

CN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3ccc(cc3)Br
Chemical ID:
6467934
Name [?]:
2-(4-bromophenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C19H17BrN2O3S/c1-22-18(23)17(10-12-4-9-15(24-2)11-16(12)25-3)26-19(22)21-14-7-5-13(20)6-8-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,8,22,24,21,25,9,6,11,7,23,20,10,12,5,3,18,26,19,2,4,15,13,17/E:(5,6)(7,8)/rA:26nCNCOCCCCCCCCOCOCSCNCCCCCCBr/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2571
Area:571.557
Solvation:-4.03187
Coulombic:-39.4469
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:433.32
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):4.88

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