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Chemical ID: 3891070
Chemical ID:
3891070
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(p-tolyl)thiazol-2-yl]-propanamide
SMILES [?]:
CCC(=O)N(CCc1ccc(c(c1)OC)OC)c2nc(cs2)c3ccc(cc3)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-22(26)25(13-12-17-8-11-20(27-3)21(14-17)28-4)23-24-19(15-29-23)18-9-6-16(2)7-10-18/h6-11,14-15H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,17,15,2,25,27,9,24,28,10,7,6,13,21,26,8,23,20,11,12,3,18,19,5,4,16,14,22/E:(6,7)(9,10)/rA:29nCCCONCCCCCCCCOCOCCNCCSCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s5;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7013 |
Area: | 648.65 |
Solvation: | -5.51498 |
Coulombic: | -38.0737 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.37 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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