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Chemical ID: 7326913
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
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Experimental Annotations
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Descriptor Annotations
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