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Chemical ID: 7154719
Chemical ID:
7154719
Name [?]:
2-[4-chloro-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NN2CCOCC2)C(F)F)Cl
InChi [?]:
InChI=1/C11H15ClF2N4O2/c1-7-9(12)10(11(13)14)16-18(7)6-8(19)15-17-2-4-20-5-3-17/h11H,2-6H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,7,2,8,3,4,17,20,18,19,10,5,11,6,9,14/E:(2,3)(4,5)(13,14)/rA:20nCCCCNNCCONNCCOCCCFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s4;s17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15ClF2N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.04009 |
Area: | 472.787 |
Solvation: | -6.7796 |
Coulombic: | -40.0629 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.712 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.45 |
LogP (Chemaxon): | -0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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