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Chemical ID: 5989020
Chemical ID:
5989020
Name [?]:
2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C21H21FN4O2/c1-14-7-6-8-15(13-14)19-24-20(28-25-19)18-11-4-5-12-26(18)21(27)23-17-10-3-2-9-16(17)22/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,15,16,4,3,5,26,23,14,17,7,2,6,27,22,13,8,10,19,28,21,9,12,18,20,11/rA:28cCCCCCCCCNCONCCCCCNCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21FN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1431 |
Area: | 574.443 |
Solvation: | -3.21797 |
Coulombic: | -48.5054 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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