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Chemical ID: 3939534
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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