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Chemical ID: 5999952
Chemical ID:
5999952
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-propyl-butanamide
SMILES [?]:
CCCC(=O)N(CCC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H29ClN4O3/c1-3-7-19(28)26(13-4-2)15-20(29)27-14-6-5-8-18(27)22-24-21(25-30-22)16-9-11-17(23)12-10-16/h9-12,18H,3-8,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,16,15,3,17,25,29,26,28,7,14,10,24,27,18,4,11,21,19,30,20,22,6,13,5,12,23/E:(9,10)(11,12)/rA:30cCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29ClN4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8254 |
Area: | 679.041 |
Solvation: | -4.15066 |
Coulombic: | -45.61 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.944 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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