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Chemical ID: 7655932
Chemical ID:
7655932
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1CC(=O)NC2CC(NC(C2)(C)C)(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H24ClF3N4O/c1-9-12(17)13(16(18,19)20)22-24(9)8-11(25)21-10-6-14(2,3)23-15(4,5)7-10/h10,23H,6-8H2,1-5H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,20,16,12,7,2,11,8,3,4,15,13,21,25,22,23,24,10,5,14,6,9/E:(2,3,4,5)(6,7)(14,15)(18,19,20)/rA:25nCCCCNNCCONCCCNCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s15;s13;s13;s4;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24ClF3N4O |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3367 |
Area: | 558.202 |
Solvation: | -3.61833 |
Coulombic: | -52.8474 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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