Chemical ID: 6283046

CCN(CC)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)Cl
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

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