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Chemical ID: 5997632
Chemical ID:
5997632
Name [?]:
N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]butanamide
SMILES [?]:
CCCC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C26H29ClN4O3/c1-2-8-23(32)30(17-19-9-4-3-5-10-19)18-24(33)31-16-7-6-11-22(31)26-28-25(29-34-26)20-12-14-21(27)15-13-20/h3-5,9-10,12-15,22H,2,6-8,11,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,20,19,3,9,13,21,29,33,30,32,18,7,14,8,28,31,22,4,15,25,23,34,24,26,6,17,5,16,27/E:(4,5)(9,10)(12,13)(14,15)/rA:34cCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s24;d25;s23s26;s25;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29ClN4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5076 |
Area: | 729.432 |
Solvation: | -4.72818 |
Coulombic: | -46.5071 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 480.986 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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