Chemical ID: 4815139

c1cc(ccc1Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl)F
Chemical ID:
4815139
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)COc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C18H14ClFN2O2S/c19-13-3-7-15(8-4-13)24-11-17(23)22-18-21-10-16(25-18)9-12-1-5-14(20)6-2-12/h1-8,10H,9,11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,20,22,2,4,19,23,7,9,16,6,21,3,18,8,14,11,24,25,10,13,15,17,12/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCCCNCSNCOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.57884
Area:590.084
Solvation:-6.17326
Coulombic:-37.2375
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.833
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):4.48

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