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Chemical ID: 5806729
Chemical ID:
5806729
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CC3c4ccccc4CCN3C2c5ccccc5
InChi [?]:
InChI=1/C24H24N2O2S/c1-18-11-13-21(14-12-18)29(27,28)26-17-23-22-10-6-5-7-19(22)15-16-25(23)24(26)20-8-3-2-4-9-20/h2-14,23-24H,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,28,17,16,18,25,29,15,3,7,4,6,20,21,12,2,19,24,5,14,13,23,22,11,9,10,8/E:(3,4)(8,9)(11,12)(13,14)(27,28)/CRV:29.6/rA:29cCCCCCCCSOONCCCCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;s11s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 11.9853 |
Area: | 582.437 |
Solvation: | -2.5756 |
Coulombic: | -17.2018 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 404.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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