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Chemical ID: 5997607
Chemical ID:
5997607
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H37ClN4O4/c1-4-6-9-19(5-2)26(33)30(16-17-34-3)18-23(32)31-15-8-7-10-22(31)25-28-24(29-35-25)20-11-13-21(27)14-12-20/h11-14,19,22H,4-10,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,14,2,6,3,21,20,4,22,30,34,31,33,19,11,12,15,5,29,32,23,16,26,24,8,35,25,27,10,18,17,9,13,28/E:(11,12)(13,14)/rA:35cCCCCCCCCONCCOCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;s23;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37ClN4O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.9264 |
Area: | 769.053 |
Solvation: | -5.29992 |
Coulombic: | -54.3082 |
Bond Count [?]
All: | 37 |
Single: | 30 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 505.049 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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