Chemical ID: 4567215

Cc1ccc(cc1Cl)N2C(=O)C(NC2=S)Cc3c[nH]c4c3cccc4
Chemical ID:
4567215
Name [?]:
3-(3-chloro-4-methyl-phenyl)-5-(1H-indol-3-ylmethyl)-2-thioxo-imidazolidin-4-one
SMILES [?]:
Cc1ccc(cc1Cl)N2C(=O)C(NC2=S)Cc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C19H16ClN3OS/c1-11-6-7-13(9-15(11)20)23-18(24)17(22-19(23)25)8-12-10-21-16-5-3-2-4-14(12)16/h2-7,9-10,17,21H,8H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,3,4,16,6,18,2,17,5,21,7,20,12,10,14,8,19,13,9,11,15/rA:25cCCCCCCCClNCOCNCSCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s9s13;d14;s12;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.9565
Area:568.779
Solvation:-2.26302
Coulombic:-41.9439
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):4.92

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