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Chemical ID: 4491398
Chemical ID:
4491398
Name [?]:
N-[3-[2-(2,4-dimethoxyphenyl)aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cccc(c1)c2csc(n2)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C19H19N3O3S/c1-12(23)20-14-6-4-5-13(9-14)17-11-26-19(22-17)21-16-8-7-15(24-2)10-18(16)25-3/h4-11H,1-3H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,7,8,6,19,18,10,21,12,2,9,5,20,17,11,22,14,4,16,15,3,25,23,13/rA:26nCCONCCCCCCCCSCNNCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s12;s13;s11d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15847 |
Area: | 585.02 |
Solvation: | -5.46703 |
Coulombic: | -51.1832 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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