Chemical ID: 4169260

c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCOCC4
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

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Experimental Annotations

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Descriptor Annotations

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