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Chemical ID: 6218130
Chemical ID:
6218130
Name [?]:
N-[4-(4-cyanophenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C18H13N3O2S/c19-10-13-6-8-14(9-7-13)16-12-24-18(20-16)21-17(22)11-23-15-4-2-1-3-5-15/h1-9,12H,11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,23,8,15,20,17,4,14,9,12,24,13,11,10,7,16/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCOCCONCNCCSCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1167 |
Area: | 565.355 |
Solvation: | -5.01717 |
Coulombic: | -38.134 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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