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Chemical ID: 6482709
Chemical ID:
6482709
Name [?]:
N-[2-[[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonyl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2C(=O)N3CCC(CC3)c4nc(no4)c5ccncc5
InChi [?]:
InChI=1/C26H23N5O3/c32-24(19-6-2-1-3-7-19)28-22-9-5-4-8-21(22)26(33)31-16-12-20(13-17-31)25-29-23(30-34-25)18-10-14-27-15-11-18/h1-11,14-15,20H,12-13,16-17H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,30,34,20,22,31,33,19,23,29,4,21,15,10,26,7,24,16,32,9,25,27,18,8,17,28/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:34nCCCCCCCONCCCCCCCONCCCCCCNCNOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1733 |
Area: | 694.521 |
Solvation: | -4.1897 |
Coulombic: | -56.2808 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 453.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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