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Chemical ID: 6482699
Chemical ID:
6482699
Name [?]:
[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C24H24F3N3O5/c1-32-18-12-16(13-19(33-2)20(18)34-3)23(31)30-9-7-14(8-10-30)22-28-21(29-35-22)15-5-4-6-17(11-15)24(25,26)27/h4-6,11-14H,7-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,28,27,29,17,19,16,20,31,4,6,18,26,5,30,3,7,8,23,21,13,32,33,34,35,22,24,15,14,2,11,9,25/E:(1,2)(7,8)(9,10)(12,13)(18,19)(25,26,27)(32,33)/rA:35nCOCCCCCCOCOCCONCCCCCCNCNOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;s18;s15s19;s18;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24F3N3O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38041 |
Area: | 696.847 |
Solvation: | -8.04078 |
Coulombic: | -68.4445 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 491.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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