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Chemical ID: 6001413
Chemical ID:
6001413
Name [?]:
2-[(2-methoxyacetyl)-propyl-amino]-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1ncc(s1)C)C(=O)COC
InChi [?]:
InChI=1/C12H19N3O3S/c1-4-5-15(11(17)8-18-3)7-10(16)14-12-13-6-9(2)19-12/h6H,4-5,7-8H2,1-3H3,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,14,19,2,3,11,5,17,12,6,15,9,10,8,4,7,16,18,13/rA:19nCCCNCCONCNCCSCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s4;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.22669 |
Area: | 502.782 |
Solvation: | -6.34286 |
Coulombic: | -47.7522 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.72 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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