Chemical ID: 4016315

Cc1cc(c(c(c1C)S(=O)(=O)N2CCC3(CC2)OCCO3)C)C
Chemical ID:
4016315
Name [?]:
8-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILES [?]:
Cc1cc(c(c(c1C)S(=O)(=O)N2CCC3(CC2)OCCO3)C)C
InChi [?]:
InChI=1/C17H25NO4S/c1-12-11-13(2)15(4)16(14(12)3)23(19,20)18-7-5-17(6-8-18)21-9-10-22-17/h11H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,8,22,14,16,13,17,19,20,3,2,4,7,5,6,15,12,10,11,18,21,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(19,20)(21,22)/CRV:23.6/rA:23nCCCCCCCCSOONCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;s18;s19;s15s20;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.00426
Area:495.577
Solvation:-3.38518
Coulombic:-24.7485
Bond Count [?]
All:25
Single:20
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.451
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):3.76

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