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Chemical ID: 6343980
Chemical ID:
6343980
Name [?]:
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-thiazol-2-yl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-14-19(16-6-4-3-5-7-16)22-20(25-14)21-18(23)13-10-15-8-11-17(24-2)12-9-15/h3-9,11-12H,10,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,22,24,21,25,13,17,11,14,16,10,2,12,20,15,8,3,5,7,4,9,18,6/E:(4,5)(6,7)(8,9)(11,12)/rA:25nCCCNCSNCOCCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s3;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.686 |
Area: | 584.408 |
Solvation: | -3.92419 |
Coulombic: | -35.0601 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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