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Chemical ID: 5981752
Chemical ID:
5981752
Name [?]:
[5-(2-fluorophenyl)-2-(4-methoxyphenyl)-pyrazol-3-yl]-morpholino-methanone
SMILES [?]:
COc1ccc(cc1)n2c(cc(n2)c3ccccc3F)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C21H20FN3O3/c1-27-16-8-6-15(7-9-16)25-20(21(26)24-10-12-28-13-11-24)14-19(23-25)17-4-2-3-5-18(17)22/h2-9,14H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,5,7,4,8,24,28,25,27,11,6,3,14,19,12,10,21,20,13,23,9,22,2,26/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCOCCCCCCNCCCNCCCCCCFCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s10;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20FN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21068 |
Area: | 566.021 |
Solvation: | -6.93985 |
Coulombic: | -40.8726 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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