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Chemical ID: 7325124
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
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Experimental Annotations
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Descriptor Annotations
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