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Chemical ID: 5997633
Chemical ID:
5997633
Name [?]:
N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]pentanamide
SMILES [?]:
CCCCC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C27H31ClN4O3/c1-2-3-12-24(33)31(18-20-9-5-4-6-10-20)19-25(34)32-17-8-7-11-23(32)27-29-26(30-35-27)21-13-15-22(28)16-14-21/h4-6,9-10,13-16,23H,2-3,7-8,11-12,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,11,13,21,20,10,14,22,4,30,34,31,33,19,8,15,9,29,32,23,5,16,26,24,35,25,27,7,18,6,17,28/E:(5,6)(9,10)(13,14)(15,16)/rA:35cCCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s7;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: | C27H31ClN4O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.3662 |
Area: | 755.74 |
Solvation: | -4.52729 |
Coulombic: | -47.0745 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 495.013 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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