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Chemical ID: 7511572
Chemical ID:
7511572
Name [?]:
bis(3-morpholinosulfonylphenyl)methanone
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CCOCC2)C(=O)c3cccc(c3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C21H24N2O7S2/c24-21(17-3-1-5-19(15-17)31(25,26)22-7-11-29-12-8-22)18-4-2-6-20(16-18)32(27,28)23-9-13-30-14-10-23/h1-6,15-16H,7-14H2
InChi Info:
AuxInfo=1/0/N:1,20,2,19,6,21,11,15,28,32,12,14,29,31,4,23,3,18,5,22,16,10,27,17,8,9,25,26,13,30,7,24/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(22,23)(25,26,27,28)(29,30)(31,32)/CRV:31.6,32.6/rA:32nCCCCCCSOONCCOCCCOCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s3;d16;s16;s18;d19;s20;d21;d18s22;s22;d24;d24;s24;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O7S2 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1105 |
Area: | 670.906 |
Solvation: | -6.66213 |
Coulombic: | -39.2858 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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