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Chemical ID: 5938602
Chemical ID:
5938602
Name [?]:
N-[3-(2-diethylaminothiazol-4-yl)phenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2cccc(c2)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C22H25N3O3S/c1-5-25(6-2)22-24-20(14-29-22)15-8-7-9-17(10-15)23-21(26)16-11-18(27-3)13-19(12-16)28-4/h7-14H,5-6H2,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,27,29,2,4,13,12,14,16,25,21,23,9,11,20,15,24,22,8,18,6,17,7,3,19,26,28,10/E:(1,2)(3,4)(5,6)(11,12)(18,19)(27,28)/rA:29nCCNCCCNCCSCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3373 |
Area: | 655.159 |
Solvation: | -5.0417 |
Coulombic: | -48.6049 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 411.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.89 |
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.
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