Chemical ID: 4368046

COc1ccc(cc1)c2c(nc(s2)NC(=O)c3cccs3)c4ccccc4
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

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Descriptor Annotations

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