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Chemical ID: 5997637
Chemical ID:
5997637
Name [?]:
N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C30H29ClN4O3/c1-21-10-12-24(13-11-21)30(37)34(19-22-7-3-2-4-8-22)20-27(36)35-18-6-5-9-26(35)29-32-28(33-38-29)23-14-16-25(31)17-15-23/h2-4,7-8,10-17,26H,5-6,9,18-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,24,23,13,17,25,3,7,4,6,33,37,34,36,22,11,18,2,12,32,5,35,26,19,29,27,8,38,28,30,10,21,20,9,31/E:(3,4)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:38cCCCCCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;s22;s23;s24;s21s25;s26;d27;s28;d29;s27s30;s29;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29ClN4O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.6567 |
Area: | 766.532 |
Solvation: | -4.50665 |
Coulombic: | -49.1971 |
Bond Count [?]
All: | 42 |
Single: | 29 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 529.029 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.47 |
LogP (Chemaxon): | 5.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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