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Chemical ID: 6008949
Chemical ID:
6008949
Name [?]:
2-[3-methoxypropyl-(2-phenoxyacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)COc2ccccc2
InChi [?]:
InChI=1/C18H23N3O4S/c1-14-13-26-18(19-14)20-16(22)11-21(9-6-10-24-2)17(23)12-25-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,24,23,25,13,22,26,12,14,10,19,3,2,21,8,17,5,6,7,11,9,18,15,20,4/E:(4,5)(7,8)/rA:26nCCCSCNNCOCNCCCOCCOCOCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09653 |
Area: | 624.792 |
Solvation: | -7.52327 |
Coulombic: | -56.221 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 377.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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