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Chemical ID: 6000943
Chemical ID:
6000943
Name [?]:
2-[butyl-(2-phenoxyacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1nc(cs1)C)C(=O)COc2ccccc2
InChi [?]:
InChI=1/C18H23N3O3S/c1-3-4-10-21(11-16(22)20-18-19-14(2)13-25-18)17(23)12-24-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,23,22,24,21,25,4,6,18,13,12,20,7,16,10,11,9,5,8,17,19,14/E:(6,7)(8,9)/rA:25nCCCCNCCONCNCCSCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s5;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4239 |
Area: | 606.404 |
Solvation: | -5.73621 |
Coulombic: | -49.7664 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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