Chemical ID: 3939534

CCOc1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F
Chemical ID:
3939534
Name [?]:
4-(4-ethoxybenzoyl)amino-N,N-bis[4-(4-ethoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C21H24FN3O3/c1-2-28-17-9-7-15(8-10-17)20(26)23-16-11-13-25(14-12-16)21(27)24-19-6-4-3-5-18(19)22/h3-10,16H,2,11-14H2,1H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,6,8,5,9,14,18,15,17,7,13,4,27,22,10,19,28,12,21,16,11,20,3/E:(7,8)(9,10)(11,12)(13,14)/rA:28nCCOCCCCCCCONCCCNCCCONCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9383
Area:614.718
Solvation:-4.42963
Coulombic:-64.4575
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.432
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):1.94

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