Chemical ID: 6266523

c1cc(ccc1OCC(=O)Nc2nc(cs2)c3ccc4c(c3)CCCC4)Cl
Chemical ID:
6266523
Name [?]:
2-(4-chlorophenoxy)-N-(4-tetralin-2-ylthiazol-2-yl)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2nc(cs2)c3ccc4c(c3)CCCC4)Cl
InChi [?]:
InChI=1/C21H19ClN2O2S/c22-17-7-9-18(10-8-17)26-12-20(25)24-21-23-19(13-27-21)16-6-5-14-3-1-2-4-15(14)11-16/h5-11,13H,1-4,12H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:25,24,26,23,19,18,2,4,1,5,22,8,15,20,21,17,3,6,14,9,12,27,13,11,10,7,16/E:(7,8)(9,10)/rA:27nCCCCCCOCCONCNCCSCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9731
Area:623.846
Solvation:-4.62306
Coulombic:-35.2141
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:398.907
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.6
LogP (Chemaxon):5.96

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Descriptor Annotations

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