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Chemical ID: 5938687
Chemical ID:
5938687
Name [?]:
2,6-dimethoxy-N-[3-(2-methylaminothiazol-4-yl)phenyl]-benzamide
SMILES [?]:
CNc1nc(cs1)c2cccc(c2)NC(=O)c3c(cccc3OC)OC
InChi [?]:
InChI=1/C19H19N3O3S/c1-20-19-22-14(11-26-19)12-6-4-7-13(10-12)21-18(23)17-15(24-2)8-5-9-16(17)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,26,10,20,9,11,21,19,13,6,8,12,5,22,18,17,15,3,2,14,4,16,23,25,7/E:(2,3)(8,9)(15,16)(24,25)/rA:26nCNCNCCSCCCCCCNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66783 |
Area: | 583.067 |
Solvation: | -5.90885 |
Coulombic: | -53.3848 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 369.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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