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Chemical ID: 7287283
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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