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Chemical ID: 3891071
Chemical ID:
3891071
Name [?]:
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)N(CCc3ccc(c(c3)OC)OC)C(=O)CCl
InChi [?]:
InChI=1/C22H23ClN2O3S/c1-15-4-7-17(8-5-15)18-14-29-22(24-18)25(21(26)13-23)11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12,14H,10-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,23,3,7,17,4,6,18,15,14,21,28,9,2,16,5,8,19,20,26,11,29,12,13,27,24,22,10/E:(4,5)(7,8)/rA:29nCCCCCCCCCSCNNCCCCCCCCOCOCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s13;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4397 |
Area: | 654.026 |
Solvation: | -5.91091 |
Coulombic: | -38.287 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.948 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.36 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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