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Chemical ID: 7293417
Chemical ID:
7293417
Name [?]:
3-(3,4-dimethoxyphenyl)-N-(4-phenylthiazol-2-yl)-propanamide
SMILES [?]:
COc1ccc(cc1OC)CCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O3S/c1-24-17-10-8-14(12-18(17)25-2)9-11-19(23)22-20-21-16(13-26-20)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,25,22,26,5,11,4,12,7,19,6,21,18,3,8,13,16,17,15,14,2,9,20/E:(4,5)(6,7)/rA:26nCOCCCCCCOCCCCONCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84903 |
Area: | 600.477 |
Solvation: | -6.16289 |
Coulombic: | -41.0343 |
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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