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Chemical ID: 5997622
Chemical ID:
5997622
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-(2-methoxyethyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H35ClN4O4/c1-3-4-5-6-10-22(31)29(16-17-33-2)18-23(32)30-15-8-7-9-21(30)25-27-24(28-34-25)19-11-13-20(26)14-12-19/h11-14,21H,3-10,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,4,5,20,19,21,6,29,33,30,32,18,10,11,14,28,31,22,7,15,25,23,34,24,26,9,17,8,16,12,27/E:(11,12)(13,14)/rA:34cCCCCCCCONCCOCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9;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: | C25H35ClN4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.7854 |
Area: | 774.561 |
Solvation: | -5.57864 |
Coulombic: | -53.5119 |
Bond Count [?]
All: | 36 |
Single: | 29 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 491.023 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.94 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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