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Chemical ID: 7655746
Chemical ID:
7655746
Name [?]:
None
SMILES [?]:
CC(C)N1CCC(CC1)NC(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C18H26ClF3N4O/c1-10(2)25-8-6-13(7-9-25)23-17(27)11(3)26-15(12-4-5-12)14(19)16(24-26)18(20,21)22/h10-13H,4-9H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,3,14,26,27,6,8,5,9,2,13,25,7,17,16,18,11,20,24,21,22,23,10,19,4,15,12/E:(1,2)(4,5)(6,7)(8,9)(20,21,22)/rA:27cCCCNCCCCCNCOCCNCCCNCFFFClCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s11;s13;s13;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26ClF3N4O |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2302 |
Area: | 592.583 |
Solvation: | -3.58433 |
Coulombic: | -49.9989 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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