Chemical ID: 7287283

CCc1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
Chemical ID:
7287283
Name [?]:
N-[4-[2-[2-(3-ethylphenoxy)acetyl]aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C21H21N3O3S/c1-3-15-5-4-6-18(11-15)27-12-20(26)24-21-23-19(13-28-21)16-7-9-17(10-8-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,2,5,4,6,20,24,21,23,8,10,17,26,3,19,22,7,16,11,14,25,15,13,27,12,9,18/E:(7,8)(9,10)/rA:28nCCCCCCCCOCCONCNCCSCCCCCCNCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O3S
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1428
Area:642.979
Solvation:-5.93169
Coulombic:-53.1543
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.476
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):4.41

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