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Chemical ID: 7155641
Chemical ID:
7155641
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H14ClF3N4O2/c1-7-9(12)10(11(13,14)15)17-19(7)6-8(20)16-18-2-4-21-5-3-18/h2-6H2,1H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,7,2,8,3,4,17,21,18,19,20,10,5,11,6,9,14/E:(2,3)(4,5)(13,14,15)/rA:21nCCCCNNCCONNCCOCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClF3N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40707 |
Area: | 478.88 |
Solvation: | -5.56492 |
Coulombic: | -49.8509 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.77 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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