Chemical ID: 5989525

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)C(F)(F)F
Chemical ID:
5989525
Name [?]:
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C22H21F3N4O3/c1-31-18-6-2-4-14(12-18)19-27-20(32-28-19)15-5-3-11-29(13-15)21(30)26-17-9-7-16(8-10-17)22(23,24)25/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,5,16,6,15,4,25,27,24,28,17,8,19,7,14,26,23,3,9,11,20,29,30,31,32,22,10,13,18,21,2,12/E:(7,8)(9,10)(23,24,25)/rA:32cCOCCCCCCCNCONCCCCNCCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21F3N4O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.5939
Area:651.628
Solvation:-4.69675
Coulombic:-68.213
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.423
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):4.65

Name Annotations

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Descriptor Annotations

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