Chemical ID: 3939528

COc1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F
Chemical ID:
3939528
Name [?]:
4-(4-methoxybenzoyl)amino-N,N-bis[4-(4-methoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C20H22FN3O3/c1-27-16-8-6-14(7-9-16)19(25)22-15-10-12-24(13-11-15)20(26)23-18-5-3-2-4-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,7,4,8,13,17,14,16,6,12,3,26,21,9,18,27,11,20,15,10,19,2/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCOCCCCCCCONCCCNCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22FN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0593
Area:584.431
Solvation:-4.55148
Coulombic:-64.1937
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.406
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.89
LogP (Chemaxon):1.59

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