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Chemical ID: 6003110
Chemical ID:
6003110
Name [?]:
N-(4-methylthiazol-2-yl)-2-[pentyl-(2-phenoxyacetyl)-amino]-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)COc2ccccc2
InChi [?]:
InChI=1/C19H25N3O3S/c1-3-4-8-11-22(12-17(23)21-19-20-15(2)14-26-19)18(24)13-25-16-9-6-5-7-10-16/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,24,23,25,4,22,26,5,7,19,14,13,21,8,17,11,12,10,6,9,18,20,15/E:(6,7)(9,10)/rA:26nCCCCCNCCONCNCCSCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0181 |
Area: | 629.55 |
Solvation: | -5.72064 |
Coulombic: | -50.0698 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 375.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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