Chemical ID: 5192859

CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4c(cccc4OC)OC
Chemical ID:
5192859
Name [?]:
(2,6-dimethoxyphenyl)-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4c(cccc4OC)OC
InChi [?]:
InChI=1/C25H29N3O4/c1-16(2)17-10-12-18(13-11-17)23-26-24(32-27-23)19-7-6-14-28(15-19)25(29)22-20(30-3)8-5-9-21(22)31-4/h5,8-13,16,19H,6-7,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,30,32,26,17,16,27,25,5,9,6,8,18,20,2,4,7,15,28,24,23,10,12,21,11,14,19,22,29,31,13/E:(1,2)(3,4)(8,9)(10,11)(12,13)(20,21)(30,31)/rA:32cCCCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;s17;s18;s15s19;s19;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s24;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.3762
Area:676.168
Solvation:-5.52804
Coulombic:-44.9465
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:435.516
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.19
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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