ChemDB: Chemical Search
Download
Chemical ID: 5997639
Chemical ID:
5997639
Name [?]:
N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]cyclopropanecarboxamide
SMILES [?]:
c1ccc(cc1)CN(CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl)C(=O)C5CC5
InChi [?]:
InChI=1/C26H27ClN4O3/c27-21-13-11-19(12-14-21)24-28-25(34-29-24)22-8-4-5-15-31(22)23(32)17-30(26(33)20-9-10-20)16-18-6-2-1-3-7-18/h1-3,6-7,11-14,20,22H,4-5,8-10,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,33,34,24,28,25,27,13,7,9,4,23,32,26,17,10,20,18,30,29,19,21,8,12,11,31,22/E:(2,3)(6,7)(9,10)(11,12)(13,14)/rA:34cCCCCCCCNCCONCCCCCCNCNOCCCCCCClCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;s8;d30;s30;s32;s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8482 |
Area: | 703.825 |
Solvation: | -4.74744 |
Coulombic: | -46.4817 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 478.97 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|