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Chemical ID: 6531232
Chemical ID:
6531232
Name [?]:
4-(2-phenoxysulfonylethyl)-2,4-diazaspiro[4.5]decane-1,3-dione
SMILES [?]:
c1ccc(cc1)OS(=O)(=O)CCN2C(=O)NC(=O)C23CCCCC3
InChi [?]:
InChI=1/C16H20N2O5S/c19-14-16(9-5-2-6-10-16)18(15(20)17-14)11-12-24(21,22)23-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,12,11,4,17,14,19,16,13,18,15,9,10,7,8/E:(3,4)(5,6)(7,8)(9,10)(21,22)/CRV:24.6/rA:24nCCCCCCOSOOCCNCONCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;s12;s13;d14;s14;s16;d17;s13s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O5S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78639 |
Area: | 492.534 |
Solvation: | -3.52695 |
Coulombic: | -46.7583 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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