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Chemical ID: 5997588
Chemical ID:
5997588
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-naphthalene-2-carboxamide
SMILES [?]:
CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C29H29ClN4O3/c1-19(2)34(29(36)23-14-13-20-8-3-4-9-21(20)16-23)18-26(35)33-15-6-5-12-25(33)28-31-27(32-37-28)22-10-7-11-24(30)17-22/h3-4,7-11,13-14,16-17,19,25H,5-6,12,15,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,33,34,11,10,21,32,35,20,22,12,30,29,9,37,24,5,2,31,36,19,28,23,13,6,16,14,26,25,15,17,8,4,7,27,18/E:(1,2)/rA:37cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29ClN4O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5319 |
Area: | 663.846 |
Solvation: | -4.06421 |
Coulombic: | -48.6361 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 517.018 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.47 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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