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Chemical ID: 6000141
Chemical ID:
6000141
Name [?]:
N-butyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-fluoro-benzamide
SMILES [?]:
CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C26H28ClFN4O3/c1-2-3-13-31(26(34)19-9-7-11-21(28)16-19)17-23(33)32-14-5-4-12-22(32)25-29-24(30-35-25)18-8-6-10-20(27)15-18/h6-11,15-16,22H,2-5,12-14,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,11,22,31,21,30,23,32,13,4,10,25,34,6,20,29,24,33,14,7,17,15,27,26,35,16,18,5,9,8,28,19/rA:35cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28ClFN4O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8973 |
Area: | 714.169 |
Solvation: | -4.95695 |
Coulombic: | -51.2731 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 498.977 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.83 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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