Chemical ID: 7063141

CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccccc4
Chemical ID:
7063141
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CC3NS(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C18H20N2O2S/c1-20-11-10-13-6-5-9-15-16(12-17(20)18(13)15)19-23(21,22)14-7-3-2-4-8-14/h2-9,16-17,19H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,7,6,19,23,8,4,3,12,5,18,9,13,11,10,14,2,16,17,15/E:(3,4)(7,8)(21,22)/CRV:23.6/rA:23cCNCCCCCCCCCCCNSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s9s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O2S
All Atoms:43
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:9.77219
Area:492.463
Solvation:-2.5394
Coulombic:-18.9275
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:328.43
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.53
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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