Chemical ID: 4323908

COc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
4323908
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-24-15-6-2-13(3-7-15)10-17-11-21-19(26-17)22-18(23)12-25-16-8-4-14(20)5-9-16/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,22,24,4,8,21,25,9,11,18,6,23,3,20,10,16,13,26,12,15,17,2,19,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCOCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.83103
Area:621.384
Solvation:-6.70357
Coulombic:-40.4163
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.869
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):4.08

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