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Chemical ID: 7655841
Chemical ID:
7655841
Name [?]:
None
SMILES [?]:
CC1(CC(CC(N1)(C)C)NC(=O)Cn2c(cc(n2)C(F)(F)F)C3CC3)C
InChi [?]:
InChI=1/C18H27F3N4O/c1-16(2)8-12(9-17(3,4)24-16)22-15(26)10-25-13(11-5-6-11)7-14(23-25)18(19,20)21/h7,11-12,24H,5-6,8-10H2,1-4H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,26,8,9,24,25,16,3,5,13,23,4,15,17,11,2,6,19,20,21,22,10,18,7,14,12/E:(1,2,3,4)(5,6)(8,9)(16,17)(19,20,21)/rA:26nCCCCCCNCCNCOCNCCCNCFFFCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s15;s23;s23s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27F3N4O |
All Atoms: | 53 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3596 |
Area: | 568.429 |
Solvation: | -3.85112 |
Coulombic: | -52.7651 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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