Chemical ID: 7325124

Cc1ccc(cc1C)c2nnc(o2)SCC(=O)N(Cc3ccccc3)C(C)C
Chemical ID:
7325124
Name [?]:
N-benzyl-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-isopropyl-acetamide
SMILES [?]:
Cc1ccc(cc1C)c2nnc(o2)SCC(=O)N(Cc3ccccc3)C(C)C
InChi [?]:
InChI=1/C22H25N3O2S/c1-15(2)25(13-18-8-6-5-7-9-18)20(26)14-28-22-24-23-21(27-22)19-11-10-16(3)17(4)12-19/h5-12,15H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:27,28,1,8,23,22,24,21,25,3,4,6,19,15,26,2,7,20,5,16,9,12,10,11,18,17,13,14/E:(1,2)(6,7)(8,9)/rA:28nCCCCCCCCCNNCOSCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O2S
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.2627
Area:634.039
Solvation:-2.58832
Coulombic:-33.9108
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.519
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):4.78

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