Chemical ID: 4702216

COc1ccc(cc1)Cc2nc(cs2)C(=O)Nc3ccc(cc3)Cl
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

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