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Chemical ID: 7328305
Chemical ID:
7328305
Name [?]:
N-[4-[2-[2-(3-acetylphenoxy)acetyl]aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)c1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C21H19N3O4S/c1-13(25)16-4-3-5-18(10-16)28-11-20(27)24-21-23-19(12-29-21)15-6-8-17(9-7-15)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,6,5,7,21,25,22,24,9,11,18,2,27,20,4,23,8,17,12,15,26,16,14,3,28,13,10,19/E:(6,7)(8,9)/rA:29nCCOCCCCCCOCCONCNCCSCCCCCCNCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O4S |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06205 |
Area: | 657.278 |
Solvation: | -7.36989 |
Coulombic: | -58.9792 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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