Chemical ID: 6218073

CCCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
6218073
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O3S/c1-2-11-25-16-7-3-14(4-8-16)18-13-27-20(22-18)23-19(24)12-26-17-9-5-15(21)6-10-17/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,23,25,6,10,22,26,3,19,12,8,24,5,21,11,17,14,27,15,16,18,4,20,13/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCOCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4476
Area:650.877
Solvation:-5.82435
Coulombic:-42.2476
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.895
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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