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Chemical ID: 6263524
Chemical ID:
6263524
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
COc1ccc(cc1OC)c2csc(n2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C20H20N2O3S/c1-24-17-10-9-15(12-18(17)25-2)16-13-26-20(21-16)22-19(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,25,22,26,20,5,4,19,7,12,21,6,11,3,8,17,14,15,16,18,2,9,13/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95382 |
Area: | 601.23 |
Solvation: | -6.07694 |
Coulombic: | -40.8957 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.37 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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