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Chemical ID: 5584023
Chemical ID:
5584023
Name [?]:
N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-(2-methoxyphenyl)-propanamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc(n2)NC(=O)CCc3ccccc3OC
InChi [?]:
InChI=1/C21H21N3O3S/c1-14(25)22-17-10-7-15(8-11-17)18-13-28-21(23-18)24-20(26)12-9-16-5-3-4-6-19(16)27-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,23,24,22,25,7,9,20,6,10,19,12,2,8,21,5,11,26,17,14,4,15,16,3,18,27,13/E:(7,8)(10,11)/rA:28nCCONCCCCCCCCSCNNCOCCCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7624 |
Area: | 639.831 |
Solvation: | -5.23337 |
Coulombic: | -52.5979 |
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: | 2.98 |
LogP (Chemaxon): | 4.03 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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