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Chemical ID: 6283046
Chemical ID:
6283046
Name [?]:
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-diethylamino-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H19ClN4O2/c1-3-24(4-2)16-11-7-13(8-12-16)17(25)21-19-23-22-18(26-19)14-5-9-15(20)10-6-14/h5-12H,3-4H2,1-2H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,25,8,10,22,24,7,11,9,20,23,6,12,18,15,26,14,17,16,3,13,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCNCCCCCCCCCONCNNCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3349 |
Area: | 603.161 |
Solvation: | -2.74412 |
Coulombic: | -44.489 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.833 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.03 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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