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Chemical ID: 7658490
Chemical ID:
7658490
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)N2CCN(CC2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H20Cl2F2N4O2S/c1-11-16(12(2)25(22-11)17(20)21)28(26,27)24-7-5-23(6-8-24)10-13-3-4-14(18)15(19)9-13/h3-4,9,17H,5-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,22,23,16,18,15,19,26,20,2,4,21,24,25,3,7,28,27,8,9,6,17,14,5,12,13,11/E:(5,6)(7,8)(20,21)(26,27)/CRV:28.6/rA:28nCCCCNNCFFCSOONCCNCCCCCCCCCClCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;s4;s3;d11;d11;s11;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20Cl2F2N4O2S |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7587 |
Area: | 608.662 |
Solvation: | -4.45787 |
Coulombic: | -28.5142 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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