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Chemical ID: 6005532
Chemical ID:
6005532
Name [?]:
2-(ethylsulfonyl-(2-methoxyethyl)amino)-N-(5-methylisoxazol-3-yl)-acetamide
SMILES [?]:
CCS(=O)(=O)N(CCOC)CC(=O)Nc1cc(on1)C
InChi [?]:
InChI=1/C11H19N3O5S/c1-4-20(16,17)14(5-6-18-3)8-11(15)12-10-7-9(2)19-13-10/h7H,4-6,8H2,1-3H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,20,10,2,7,8,16,11,17,15,12,14,19,6,13,4,5,9,18,3/E:(16,17)/CRV:20.6/rA:20cCCSOONCCOCCCONCCCONC/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s17;d15s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N3O5S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.68021 |
Area: | 495.688 |
Solvation: | -4.712 |
Coulombic: | -36.8885 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 305.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.15 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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