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Chemical ID: 4368046
Chemical ID:
4368046
Name [?]:
N-[5-(4-methoxyphenyl)-4-phenyl-thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1)c2c(nc(s2)NC(=O)c3cccs3)c4ccccc4
InChi [?]:
InChI=1/C21H16N2O2S2/c1-25-16-11-9-15(10-12-16)19-18(14-6-3-2-4-7-14)22-21(27-19)23-20(24)17-8-5-13-26-17/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,19,23,27,18,5,7,4,8,20,22,6,3,17,10,9,15,12,11,14,16,2,21,13/E:(3,4)(6,7)(9,10)(11,12)/rA:27nCOCCCCCCCCNCSNCOCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s10;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O2S2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2125 |
Area: | 600.081 |
Solvation: | -3.7895 |
Coulombic: | -37.8827 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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