Chemical ID: 7063144

CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccc(cc4)F
Chemical ID:
7063144
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H19FN2O2S/c1-21-10-9-12-3-2-4-15-16(11-17(21)18(12)15)20-24(22,23)14-7-5-13(19)6-8-14/h2-8,16-17,20H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,20,22,19,23,4,3,12,5,21,18,9,13,11,10,24,14,2,16,17,15/E:(5,6)(7,8)(22,23)/CRV:24.6/rA:24cCNCCCCCCCCCCCNSOOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s9s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19FN2O2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:8.96189
Area:499.938
Solvation:-3.53657
Coulombic:-21.2207
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.42
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):2.73

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Experimental Annotations

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Descriptor Annotations

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