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Chemical ID: 5997638
Chemical ID:
5997638
Name [?]:
N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]acetamide
SMILES [?]:
CC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H25ClN4O3/c1-17(30)28(15-18-7-3-2-4-8-18)16-22(31)29-14-6-5-9-21(29)24-26-23(27-32-24)19-10-12-20(25)13-11-19/h2-4,7-8,10-13,21H,5-6,9,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,18,17,7,11,19,27,31,28,30,16,5,12,2,6,26,29,20,13,23,21,32,22,24,4,15,3,14,25/E:(3,4)(7,8)(10,11)(12,13)/rA:32cCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;s12;d13;s13;s15;s16;s17;s18;s15s19;s20;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25ClN4O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0534 |
Area: | 678.161 |
Solvation: | -4.90061 |
Coulombic: | -45.3812 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 452.933 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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