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Chemical ID: 5999954
Chemical ID:
5999954
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)c4ccccc4
InChi [?]:
InChI=1/C25H27ClN4O3/c1-2-15-29(25(32)19-8-4-3-5-9-19)17-22(31)30-16-7-6-10-21(30)24-27-23(28-33-24)18-11-13-20(26)14-12-18/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,30,32,11,10,29,33,12,20,24,21,23,3,9,5,19,28,22,13,6,16,14,26,25,15,17,4,8,7,27,18/E:(4,5)(8,9)(11,12)(13,14)/rA:33cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCC/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;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27ClN4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8115 |
Area: | 677.511 |
Solvation: | -4.12626 |
Coulombic: | -48.4271 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 466.96 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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