Chemical ID: 5192888

CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
Chemical ID:
5192888
Name [?]:
[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3-methoxyphenyl)-methanone
SMILES [?]:
CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H27N3O3/c1-16(2)17-9-11-18(12-10-17)22-25-23(30-26-22)20-7-5-13-27(15-20)24(28)19-6-4-8-21(14-19)29-3/h4,6,8-12,14,16,20H,5,7,13,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,25,17,24,16,26,5,9,6,8,18,28,20,2,4,7,23,15,27,10,12,21,11,14,19,22,29,13/E:(1,2)(9,10)(11,12)/rA:30cCCCCCCCCCCNCONCCCCNCCOCCCCCCOC/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;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.5487
Area:651.193
Solvation:-3.73114
Coulombic:-38.5543
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.49
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.27
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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