Chemical ID: 6266799

COc1cccc(c1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
6266799
Name [?]:
2-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
COc1cccc(c1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-15-4-2-3-12(9-15)16-11-25-18(20-16)21-17(22)10-24-14-7-5-13(19)6-8-14/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,21,23,20,24,8,17,10,7,22,19,3,9,15,12,25,13,14,16,2,18,11/E:(5,6)(7,8)/rA:25nCOCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.94306
Area:596.461
Solvation:-5.96846
Coulombic:-41.5316
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):4.48

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