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Chemical ID: 5999951
Chemical ID:
5999951
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CC
InChi [?]:
InChI=1/C21H27ClN4O3/c1-3-12-25(18(27)4-2)14-19(28)26-13-6-5-7-17(26)21-23-20(24-29-21)15-8-10-16(22)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,28,11,10,12,20,24,21,23,3,9,5,19,22,13,26,6,16,14,25,15,17,4,8,27,7,18/E:(8,9)(10,11)/rA:29cCCCNCCONCCCCCCNCNOCCCCCCClCOCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27ClN4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7732 |
Area: | 648.034 |
Solvation: | -4.42764 |
Coulombic: | -44.9106 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.917 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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