Chemical ID: 7326913

Cc1ccc(cc1)c2nnc(o2)SC(C)C(=O)NCc3ccccc3
Chemical ID:
7326913
Name [?]:
N-benzyl-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(o2)SC(C)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C19H19N3O2S/c1-13-8-10-16(11-9-13)18-21-22-19(24-18)25-14(2)17(23)20-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,23,22,24,21,25,3,7,4,6,19,2,14,20,5,16,8,11,18,9,10,17,12,13/E:(4,5)(6,7)(8,9)(10,11)/rA:25cCCCCCCCCNNCOSCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;s14;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2S
All Atoms:44
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.381
Area:592.158
Solvation:-2.42296
Coulombic:-39.289
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.439
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):3.85

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