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Chemical ID: 7658526
Chemical ID:
7658526
Name [?]:
None
SMILES [?]:
CS(=O)(=O)N1CCC(CC1)C(=O)NCCCn2c(cc(n2)C(F)(F)F)C3CC3
InChi [?]:
InChI=1/C17H25F3N4O3S/c1-28(26,27)23-9-5-13(6-10-23)16(25)21-7-2-8-24-14(12-3-4-12)11-15(22-24)17(18,19)20/h11-13H,2-10H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,15,27,28,7,9,14,16,6,10,19,26,8,18,20,11,22,23,24,25,13,21,5,17,12,3,4,2/E:(3,4)(5,6)(9,10)(18,19,20)(26,27)/CRV:28.6/rA:28nCSOONCCCCCCONCCCNCCCNCFFFCCC/rB:s1;d2;d2;s2;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;s15;s16;s17;d18;s19;s17d20;s20;s22;s22;s22;s18;s26;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25F3N4O3S |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2471 |
Area: | 632.804 |
Solvation: | -5.57295 |
Coulombic: | -47.2178 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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