Chemical ID: 4702214

COc1ccc(cc1)NC(=O)c2csc(n2)Cc3ccc(cc3)Cl
Chemical ID:
4702214
Name [?]:
2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-thiazole-4-carboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2csc(n2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-23-15-8-6-14(7-9-15)20-18(22)16-11-24-17(21-16)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,5,7,4,8,17,13,18,21,6,3,12,15,10,24,9,16,11,2,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCOCCCCCCNCOCCSCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s13;s14;s12d15;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:11.1335
Area:576.009
Solvation:-3.26675
Coulombic:-36.7868
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

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