Chemical ID: 5988103

CCc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)C
Chemical ID:
5988103
Name [?]:
(4-ethylphenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)C
InChi [?]:
InChI=1/C23H25N3O2/c1-3-17-10-12-18(13-11-17)23(27)26-14-5-4-9-20(26)22-24-21(25-28-22)19-8-6-7-16(2)15-19/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,14,13,24,25,23,15,4,8,5,7,12,27,26,3,6,22,16,19,17,9,18,20,11,10,21/E:(10,11)(12,13)/rA:28cCCCCCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.1093
Area:595.966
Solvation:-2.7898
Coulombic:-32.1673
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.464
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.72
LogP (Chemaxon):5.21

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Descriptor Annotations

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