Chemical ID: 5989170

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
Chemical ID:
5989170
Name [?]:
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C21H20F2N4O3/c1-29-16-5-2-13(3-6-16)19-25-20(30-26-19)14-8-10-27(11-9-14)21(28)24-18-7-4-15(22)12-17(18)23/h2-7,12,14H,8-11H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,5,7,25,4,8,24,15,19,16,18,27,6,14,26,3,28,23,9,11,20,30,29,22,10,13,17,21,2,12/E:(2,3)(5,6)(8,9)(10,11)/rA:30nCOCCCCCCCNCONCCCNCCCONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20F2N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.3277
Area:621.045
Solvation:-5.19845
Coulombic:-56.3033
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.405
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):3.25

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Descriptor Annotations

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