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Chemical ID: 3860808
Chemical ID:
3860808
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N,3-dimethyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(C)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-13-6-5-7-14(10-13)19(23)22(2)20-21-17(12-26-20)16-11-15(24-3)8-9-18(16)25-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,26,24,4,3,5,20,21,7,18,15,2,6,19,17,14,22,8,12,13,10,9,25,23,16/rA:26nCCCCCCCCONCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93176 |
Area: | 568.728 |
Solvation: | -5.28645 |
Coulombic: | -37.3399 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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