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Chemical ID: 4169260
Chemical ID:
4169260
Name [?]:
4-[4-[(4-morpholinosulfonylphenyl)methyl]phenyl]sulfonylmorpholine
SMILES [?]:
c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C21H26N2O6S2/c24-30(25,22-9-13-28-14-10-22)20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)31(26,27)23-11-15-29-16-12-23/h1-8H,9-17H2
InChi Info:
AuxInfo=1/0/N:1,5,9,13,2,4,10,12,27,31,18,22,28,30,19,21,7,6,8,3,11,26,17,24,25,15,16,29,20,23,14/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(18,19)(20,21)(22,23)(24,25,26,27)(28,29)(30,31)/CRV:30.6,31.6/rA:31nCCCCCCCCCCCCCSOONCCOCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;d14;s14;s17;s18;s19;s20;s17s21;s3;d23;d23;s23;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O6S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7941 |
Area: | 665.714 |
Solvation: | -5.84872 |
Coulombic: | -31.858 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 466.573 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.69 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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