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Chemical ID: 5562625
Chemical ID:
5562625
Name [?]:
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
SMILES [?]:
CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C14H19NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-5-13(7-14)12(3)16/h4-7,10-11H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,14,15,13,17,3,5,2,6,18,16,12,4,19,10,11,7,9/E:(1,2)(8,9)(10,11)(17,18)/CRV:20.6/rA:20cCCCNCCOCSOOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.95266 |
Area: | 479.867 |
Solvation: | -4.04402 |
Coulombic: | -23.0561 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.47 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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