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Chemical ID: 5940512
Chemical ID:
5940512
Name [?]:
N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C20H21N3O2S/c1-13(2)19(24)21-15-9-7-14(8-10-15)18-12-26-20(23-18)22-16-5-4-6-17(11-16)25-3/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,21,20,22,9,11,8,12,24,14,2,10,7,19,23,13,4,16,6,18,17,5,25,15/E:(1,2)(7,8)(9,10)/rA:26nCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8236 |
Area: | 595.13 |
Solvation: | -4.05461 |
Coulombic: | -45.7356 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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