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Chemical ID: 4170474
Chemical ID:
4170474
Name [?]:
2-phenoxy-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C17H14N2O2S/c20-16(11-21-14-9-5-2-6-10-14)19-17-18-15(12-22-17)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,15,8,4,17,7,13,10,11,12,14,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCSCNNCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53176 |
Area: | 522.183 |
Solvation: | -4.52283 |
Coulombic: | -35.5762 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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