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Chemical ID: 5999969
Chemical ID:
5999969
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3,3-dimethyl-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C24H33ClN4O3/c1-5-13-28(20(30)15-24(2,3)4)16-21(31)29-14-7-6-8-19(29)23-26-22(27-32-23)17-9-11-18(25)12-10-17/h9-12,19H,5-8,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,31,32,2,11,10,12,20,24,21,23,3,9,28,5,19,22,13,26,6,16,14,29,25,15,17,4,8,27,7,18/E:(2,3,4)(9,10)(11,12)/rA:32cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;d26;s26;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33ClN4O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.155 |
Area: | 697.147 |
Solvation: | -4.27366 |
Coulombic: | -45.8806 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 460.997 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.32 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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