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Chemical ID: 4702216
Chemical ID:
4702216
Name [?]:
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
COc1ccc(cc1)Cc2nc(cs2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-23-15-8-2-12(3-9-15)10-17-21-16(11-24-17)18(22)20-14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,22,19,23,4,8,9,13,6,21,18,3,12,10,15,24,17,11,16,2,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCOCCCCCCCCNCCSCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1568 |
Area: | 576.215 |
Solvation: | -3.24855 |
Coulombic: | -36.8036 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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