Chemical ID: 6769489

Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3nc4ccccc4s3
Chemical ID:
6769489
Name [?]:
N-benzothiazol-2-yl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3nc4ccccc4s3
InChi [?]:
InChI=1/C18H14N4OS3/c1-11-6-8-12(9-7-11)16-21-18(26-22-16)24-10-15(23)20-17-19-13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,3,7,4,6,14,2,5,20,25,15,8,18,10,19,17,9,12,16,13,26,11/E:(6,7)(8,9)/rA:26nCCCCCCCCNCSNSCCONCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N4OS3
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7677
Area:613.398
Solvation:-3.56727
Coulombic:-37.7141
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.528
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):5.72

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