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Chemical ID: 6007360
Chemical ID:
6007360
Name [?]:
2-[(2-methoxyacetyl)-pentyl-amino]-N-thiazol-2-yl-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nccs1)C(=O)COC
InChi [?]:
InChI=1/C13H21N3O3S/c1-3-4-5-7-16(12(18)10-19-2)9-11(17)15-13-14-6-8-20-13/h6,8H,3-5,7,9-10H2,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,4,13,5,14,7,18,8,16,11,12,10,6,9,17,19,15/rA:20nCCCCCNCCONCNCCSCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.85124 |
Area: | 531.996 |
Solvation: | -6.44867 |
Coulombic: | -48.2638 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.56 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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