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Chemical ID: 6000064
Chemical ID:
6000064
Name [?]:
N-allyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]benzamide
SMILES [?]:
C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccccc4
InChi [?]:
InChI=1/C25H25ClN4O3/c1-2-14-29(25(32)18-9-4-3-5-10-18)17-22(31)30-15-7-6-13-21(30)24-27-23(28-33-24)19-11-8-12-20(26)16-19/h2-5,8-12,16,21H,1,6-7,13-15,17H2
InChi Info:
AuxInfo=1/0/N:1,2,31,30,32,11,10,21,29,33,20,22,12,3,9,24,5,28,19,23,13,6,16,14,26,25,15,17,4,8,7,27,18/E:(4,5)(9,10)/rA:33cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.342 |
Area: | 670.695 |
Solvation: | -4.42535 |
Coulombic: | -48.9993 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 464.944 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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