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Chemical ID: 5999965
Chemical ID:
5999965
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-cyclopentyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C26H35ClN4O3/c1-2-16-30(23(32)15-10-19-7-3-4-8-19)18-24(33)31-17-6-5-9-22(31)26-28-25(29-34-26)20-11-13-21(27)14-12-20/h11-14,19,22H,2-10,15-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,33,11,10,31,34,12,29,20,24,21,23,28,3,9,5,30,19,22,13,26,6,16,14,25,15,17,4,8,27,7,18/E:(3,4)(7,8)(11,12)(13,14)/rA:34cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCC/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;s29;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35ClN4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.3273 |
Area: | 749.775 |
Solvation: | -4.41711 |
Coulombic: | -46.0408 |
Bond Count [?]
All: | 37 |
Single: | 30 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 487.034 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.08 |
LogP (Chemaxon): | 4.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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