Chemical ID: 5988092

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)CCc4ccccc4
Chemical ID:
5988092
Name [?]:
1-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-propan-1-one
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)CCc4ccccc4
InChi [?]:
InChI=1/C23H25N3O2/c1-17-8-7-11-19(16-17)22-24-23(28-25-22)20-12-5-6-15-26(20)21(27)14-13-18-9-3-2-4-10-18/h2-4,7-11,16,20H,5-6,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,16,4,3,24,28,5,14,22,21,17,7,2,23,6,13,19,8,10,9,12,18,20,11/E:(3,4)(9,10)/rA:28cCCCCCCCCNCONCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.081
Area:605.587
Solvation:-3.05869
Coulombic:-30.5709
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.464
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):4.86

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Experimental Annotations

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Descriptor Annotations

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